Net topology

ibd-a

Ingested production record from rcsr+mofplus. Per-field provenance in field_sources.

192 vertices and 432 edges in the unit cell. 72 of them leave the cell and continue into a neighbouring one; those are drawn in the accent colour and end at a hollow node. Squares are vertices of coordination 5 or more, circles of 4 or fewer. Drag to rotate, or focus the figure and use the arrow keys.

Crystallographic description

Spacegroup: Ia-3d (No. 230)
Cell lengths: a = 7.1399 Å, b = 7.1399 Å, c = 7.1399 Å
Cell angles: α = 90.00°, β = 90.00°, γ = 90.00°
Atoms in cell: 192
Transitivity pqrs: 2, 6, *, *
Catenated: no; No, computed from the graph of the net itself rather than read off its name: mofpp.periodicity v1 finds a single copy, so it is not interpenetrated on the MOF+ deposit, the graph of the uploaded topology file. Interpenetration is counted here as the number of separate copies of the net that share one repeat unit, so this is a measurement of the topology and not a marker in a string.

Canonical key

Systre key: 3 1 2 0 0 0 1 3 0 0 0 1 4 0 0 0 1 5 0 0 0 1 6 0 0 0 2 3 0 0 0 2 4 0 0 0 2 7 0 0 0 2 8 0 0 0 3 6 0 0 0 3 8 0 0 0 3 9 0 0 0 4 6 0 0 0 4 8 0 0 0 4 10 0 0 0 5 11 0 0 0 5 12 0 0 0 5 13 0 0 0 6 8 0 0 0 6 14 0 0 0 7 15 0 0 0 7 16 0 0 0 7 17 0 0 0 8 18 0 0 0 9 19 0 0 0 9 20 0 0 0 9 21 0 0 0 10 22 0 0 0 10 23 0 0 0 10 24 0 0 0 11 12 0 0 0 11 13 0 0 0 11 25 0 0 0 12 13 0 0 0 12 26 0 0 0 13 27 0 0 0 14 28 0 0 0 14 29 0 0 0 14 30 0 0 0 15 16 0 0 0 15 17 0 0 0 15 31 0 0 0 16 17 0 0 0 16 32 0 0 0 17 33 0 0 0 18 34 0 0 0 18 35 0 0 0 18 36 0 0 0 19 20 0 0 0 19 21 0 0 0 19 37 0 0 0 20 21 0 0 0 20 38 0 0 0 21 39 0 0 0 22 23 0 0 0 22 24 0 0 0 22 40 0 0 0 23 24 0 0 0 23 41 0 0 0 24 42 0 0 0 25 33 0 0 0 25 43 0 0 0 25 44 0 0 0 25 45 0 0 0 26 31 0 1 0 26 38 1 0 0 26 46 0 0 0 26 47 0 0 0 27 32 0 1 0 27 48 0 0 0 27 49 0 0 0 27 50 0 0 0 28 29 0 0 0 28 30 0 0 0 28 51 0 0 0 29 30 0 0 0 29 48 0 0 1 30 52 0 0 0 31 46 0 -1 0 31 47 0 -1 0 31 53 0 0 0 32 40 -1 0 0 32 48 0 -1 0 32 50 0 -1 0 33 44 0 0 0 33 45 0 0 0 33 54 0 0 0 34 35 0 0 0 34 36 0 0 0 34 55 0 0 0 35 36 0 0 0 35 56 0 0 0 36 46 0 0 1 37 41 -1 0 0 37 52 0 -1 -1 37 56 -1 0 -1 37 57 0 0 0 38 46 -1 0 0 38 47 -1 0 0 38 53 -1 1 0 39 55 0 0 0 39 58 0 0 0 39 59 0 0 0 39 60 0 0 0 40 48 1 -1 0 40 49 1 -1 0 40 50 1 -1 0 41 52 1 -1 -1 41 56 0 0 -1 41 61 0 0 0 42 51 0 0 0 42 62 0 0 0 42 63 0 0 0 42 64 0 0 0 43 44 0 0 0 43 45 0 0 0 43 54 0 0 0 43 65 0 0 0 44 54 0 0 0 44 66 0 0 0 45 54 0 0 0 45 67 0 0 0 46 53 0 1 0 47 53 0 1 0 47 68 0 0 0 48 49 0 0 0 49 50 0 0 0 49 69 0 0 0 50 70 0 0 0 51 62 0 0 0 51 63 0 0 0 51 71 0 0 0 52 57 0 1 1 52 61 -1 1 1 53 72 0 0 0 54 73 0 0 0 55 58 0 0 0 55 60 0 0 0 55 74 0 0 0 56 57 1 0 1 56 61 0 0 1 57 61 -1 0 0 57 75 0 0 0 58 59 0 0 0 58 74 0 0 0 58 76 0 0 0 59 60 0 0 0 59 74 0 0 0 59 77 0 0 0 60 74 0 0 0 60 78 0 0 0 61 79 0 0 0 62 64 0 0 0 62 71 0 0 0 62 80 0 0 0 63 64 0 0 0 63 71 0 0 0 63 81 0 0 0 64 71 0 0 0 64 82 0 0 0 65 68 0 -1 -1 65 76 0 0 -1 65 83 0 0 0 66 69 1 -1 0 66 84 0 0 0 66 85 0 0 0 67 72 -1 1 0 67 86 0 0 0 67 87 0 0 0 68 76 0 1 0 68 83 0 1 1 69 84 -1 1 0 69 85 -1 1 0 70 73 0 1 1 70 81 0 0 0 70 88 0 0 0 71 84 0 1 1 72 86 1 -1 0 72 87 1 -1 0 73 81 0 -1 -1 73 88 0 -1 -1 74 86 0 0 1 75 77 0 0 -1 75 80 -1 0 -1 75 89 0 0 0 76 83 0 0 1 77 80 -1 0 0 77 89 0 0 1 78 79 -1 1 1 78 82 -1 0 0 78 90 0 0 0 79 82 0 -1 -1 79 90 1 -1 -1 80 89 1 0 1 81 88 0 0 0 82 90 1 0 0 83 91 0 0 0 84 85 0 0 0 85 92 0 0 0 86 87 0 0 0 87 93 0 0 0 88 94 0 0 0 89 95 0 0 0 90 96 0 0 0 91 92 0 0 -1 91 93 1 -1 -1 91 95 1 0 0 91 96 1 -1 -1 92 93 1 -1 0 92 94 1 -1 0 92 95 1 0 1 93 94 0 0 0 93 96 0 0 0 94 95 0 1 1 94 96 0 0 0 95 96 0 -1 -1
(rcsr)The canonical Systre key, copied verbatim from the local RCSR Systre archive of 2019-06-01 — and corroborated here rather than carried on the word of the archive alone. Systre 19.6.0 was run on the MOF+ deposit, the graph of the uploaded topology file and computed the same key, character for character, so two independent statements of the canonical form of this net agree. The computed key is served under topology.symmetry with the graph it was computed from and the version that computed it. The checksum beside this key is still the one the archive carries, copied from the same block and neither computed nor verified here.
Checksum: 1fba2517afbc27c03f723f1cb63c26e7 (rcsr)

Vertices

The mapping of coordination sequences onto vertex classes that the source supplied was checked against a walk over the periodic topology of the net itself, one walk per vertex class, and agreed. The sequences are the values the source supplied; the walk settled nothing but which class each one describes.

Corroborated: 192 of 192 stored symbols were recomputed from the topology of the net itself and agree, entry for entry. A vertex symbol of this collection names the shortest cycle at each angle of a vertex, and mofpp.rings v2 (mofplus-deposit) walks those cycles on the deposit graph. The strings shown are still the values the source supplied; what was checked is that they are the values this net has.

Site symmetry. 192 of 192 vertex rows carry one, attributed to computed:mofpp.site_symmetry-v1 (spglib-2.7.0, mofplus-deposit). The site symmetry on each vertex row is the point group of the operations of the net's ideal space group that leave that vertex where it is — its Wyckoff position in the net's maximum-symmetry embedding. It is a property of the net, not of any material built on it, and it is what says whether a four-coordinated vertex is tetrahedral (-43m) or square-planar (4/mmm) — a distinction the coordination number cannot make. Computed in Ia-3d, setting the conventional one, by mofpp.site_symmetry v1 with spglib 2.7.0, from the embedding Systre 19.6.0 computed on the mofplus-deposit. spglib determined the same space group from those coordinates independently, which is a check of two different computations against each other rather than a restatement.

One row per distinct vertex. The coordination sequence counts how many vertices lie at each topological distance; the vertex symbol names the shortest ring at each angle of the vertex; the site symmetry is the vertex's Wyckoff position in the net's maximum-symmetry embedding. The three columns do not carry the same warrant: which of them was corroborated, which was not, and which was computed here, is stated above the table.
#	Coordination	Site symmetry	Vertex symbol	Coordination sequence
0	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
1	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
2	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
3	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
4	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
5	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
6	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
7	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
8	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
9	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
10	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
11	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
12	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
13	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
14	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
15	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
16	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
17	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
18	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
19	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
20	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
21	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
22	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
23	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
24	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
25	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
26	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
27	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
28	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
29	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
30	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
31	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
32	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
33	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
34	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
35	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
36	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
37	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
38	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
39	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
40	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
41	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
42	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
43	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
44	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
45	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
46	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
47	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
48	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
49	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
50	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
51	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
52	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
53	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
54	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
55	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
56	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
57	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
58	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
59	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
60	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
61	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
62	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
63	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
64	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
65	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
66	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
67	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
68	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
69	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
70	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
71	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
72	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
73	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
74	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
75	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
76	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
77	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
78	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
79	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
80	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
81	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
82	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
83	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
84	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
85	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
86	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
87	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
88	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
89	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
90	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
91	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
92	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
93	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
94	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
95	5	1	3.3.3.3.4(3).4(3).8.9.9.10(3)	5 8 16 26 56 83 119 164 235 263
96	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
97	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
98	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
99	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
100	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
101	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
102	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
103	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
104	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
105	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
106	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
107	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
108	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
109	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
110	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
111	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
112	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
113	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
114	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
115	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
116	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
117	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
118	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
119	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
120	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
121	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
122	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
123	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
124	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
125	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
126	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
127	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
128	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
129	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
130	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
131	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
132	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
133	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
134	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
135	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
136	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
137	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
138	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
139	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
140	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
141	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
142	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
143	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
144	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
145	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
146	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
147	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
148	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
149	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
150	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
151	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
152	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
153	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
154	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
155	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
156	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
157	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
158	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
159	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
160	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
161	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
162	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
163	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
164	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
165	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
166	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
167	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
168	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
169	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
170	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
171	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
172	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
173	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
174	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
175	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
176	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
177	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
178	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
179	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
180	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
181	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
182	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
183	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
184	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
185	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
186	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
187	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
188	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
189	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
190	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257
191	4	1	3.3.3.8.9.9	4 7 17 27 46 75 127 172 184 257

Computed topology

Computed here from the quotient graph of the net itself, not transcribed from either source: periodicity, symmetry, invariants and rings, on the MOF+ deposit, the graph of the uploaded topology file and the RCSR archive key, the canonical key the archive states, by mofpp.invariants 2, mofpp.periodicity 1, mofpp.rings 2, mofpp.site_symmetry spglib-2.7.0 systre-19.6.0 v1 and systre 19.6.0 sha256:0d272e98a1a21669bc67a809b95c014ba2a2fb39a6fd2147039201216ab0d48d options:--systreKey wrapper:2. Each basis is analysed on its own and the results are never merged, because a MOF+ deposit and an RCSR archive key are two different graphs that usually describe the same net and sometimes do not. The transitivity r and s are computed by nothing in this project: they count the faces and the tiles of a natural tiling, and none is derived here. That is a measured limit rather than a job not yet done. The Gavrog library this project runs Systre from was tried on 2026-09-12: for a 3-periodic net it has no route from a net to a tiling at all, and for a 2-periodic net it has one that works, whose result is a plane tiling with faces and no tiles and so a transitivity triple rather than an r and an s. This block therefore states p and q and leaves r and s unknown rather than filling them. Every entry carries the tool, its version and input_checksum, the checksum of the graph that was actually analysed, so that a result computed from the graph this record holds now can be told from one computed before it changed. Nothing here rebuilds a graph to check that, so no entry below is claimed to be current.

Periodicity — the MOF+ deposit, the graph of the uploaded topology file

Periodicity (mofplus-deposit): 3-periodic
One connected net (mofplus-deposit): yes
Interpenetration (mofplus-deposit): 1 copy
Computed by (mofplus-deposit): mofpp.periodicity 1 — ok

Periodicity — the RCSR archive key, the canonical key the archive states

Periodicity (rcsr-archive-key): 3-periodic
One connected net (rcsr-archive-key): yes
Interpenetration (rcsr-archive-key): 1 copy
Computed by (rcsr-archive-key): mofpp.periodicity 1 — ok

Symmetry — the MOF+ deposit, the graph of the uploaded topology file

Systre found one connected net in the repeat unit, so the group, the kinds of node and edge, and the key below describe that net.

Ideal space group (mofplus-deposit): Ia-3d (No. 230)
Transitivity p, q (mofplus-deposit): 2, 6 Kinds of node and of edge. r and s count the faces and tiles of a natural tiling, and none is derived here: the library this site runs Systre from cannot produce one for a 3-periodic net at all, and a 2-periodic net tiles the plane, which has faces and no tiles. They stay unknown rather than being filled.
Point-group order (mofplus-deposit): 48
Repeat-unit factor (mofplus-deposit): 2
RCSR identification (mofplus-deposit): ibd-a
Computed Systre key (mofplus-deposit): 3 1 2 0 0 0 1 3 0 0 0 1 4 0 0 0 1 5 0 0 0 1 6 0 0 0 2 3 0 0 0 2 4 0 0 0 2 7 0 0 0 2 8 0 0 0 3 6 0 0 0 3 8 0 0 0 3 9 0 0 0 4 6 0 0 0 4 8 0 0 0 4 10 0 0 0 5 11 0 0 0 5 12 0 0 0 5 13 0 0 0 6 8 0 0 0 6 14 0 0 0 7 15 0 0 0 7 16 0 0 0 7 17 0 0 0 8 18 0 0 0 9 19 0 0 0 9 20 0 0 0 9 21 0 0 0 10 22 0 0 0 10 23 0 0 0 10 24 0 0 0 11 12 0 0 0 11 13 0 0 0 11 25 0 0 0 12 13 0 0 0 12 26 0 0 0 13 27 0 0 0 14 28 0 0 0 14 29 0 0 0 14 30 0 0 0 15 16 0 0 0 15 17 0 0 0 15 31 0 0 0 16 17 0 0 0 16 32 0 0 0 17 33 0 0 0 18 34 0 0 0 18 35 0 0 0 18 36 0 0 0 19 20 0 0 0 19 21 0 0 0 19 37 0 0 0 20 21 0 0 0 20 38 0 0 0 21 39 0 0 0 22 23 0 0 0 22 24 0 0 0 22 40 0 0 0 23 24 0 0 0 23 41 0 0 0 24 42 0 0 0 25 33 0 0 0 25 43 0 0 0 25 44 0 0 0 25 45 0 0 0 26 31 0 1 0 26 38 1 0 0 26 46 0 0 0 26 47 0 0 0 27 32 0 1 0 27 48 0 0 0 27 49 0 0 0 27 50 0 0 0 28 29 0 0 0 28 30 0 0 0 28 51 0 0 0 29 30 0 0 0 29 48 0 0 1 30 52 0 0 0 31 46 0 -1 0 31 47 0 -1 0 31 53 0 0 0 32 40 -1 0 0 32 48 0 -1 0 32 50 0 -1 0 33 44 0 0 0 33 45 0 0 0 33 54 0 0 0 34 35 0 0 0 34 36 0 0 0 34 55 0 0 0 35 36 0 0 0 35 56 0 0 0 36 46 0 0 1 37 41 -1 0 0 37 52 0 -1 -1 37 56 -1 0 -1 37 57 0 0 0 38 46 -1 0 0 38 47 -1 0 0 38 53 -1 1 0 39 55 0 0 0 39 58 0 0 0 39 59 0 0 0 39 60 0 0 0 40 48 1 -1 0 40 49 1 -1 0 40 50 1 -1 0 41 52 1 -1 -1 41 56 0 0 -1 41 61 0 0 0 42 51 0 0 0 42 62 0 0 0 42 63 0 0 0 42 64 0 0 0 43 44 0 0 0 43 45 0 0 0 43 54 0 0 0 43 65 0 0 0 44 54 0 0 0 44 66 0 0 0 45 54 0 0 0 45 67 0 0 0 46 53 0 1 0 47 53 0 1 0 47 68 0 0 0 48 49 0 0 0 49 50 0 0 0 49 69 0 0 0 50 70 0 0 0 51 62 0 0 0 51 63 0 0 0 51 71 0 0 0 52 57 0 1 1 52 61 -1 1 1 53 72 0 0 0 54 73 0 0 0 55 58 0 0 0 55 60 0 0 0 55 74 0 0 0 56 57 1 0 1 56 61 0 0 1 57 61 -1 0 0 57 75 0 0 0 58 59 0 0 0 58 74 0 0 0 58 76 0 0 0 59 60 0 0 0 59 74 0 0 0 59 77 0 0 0 60 74 0 0 0 60 78 0 0 0 61 79 0 0 0 62 64 0 0 0 62 71 0 0 0 62 80 0 0 0 63 64 0 0 0 63 71 0 0 0 63 81 0 0 0 64 71 0 0 0 64 82 0 0 0 65 68 0 -1 -1 65 76 0 0 -1 65 83 0 0 0 66 69 1 -1 0 66 84 0 0 0 66 85 0 0 0 67 72 -1 1 0 67 86 0 0 0 67 87 0 0 0 68 76 0 1 0 68 83 0 1 1 69 84 -1 1 0 69 85 -1 1 0 70 73 0 1 1 70 81 0 0 0 70 88 0 0 0 71 84 0 1 1 72 86 1 -1 0 72 87 1 -1 0 73 81 0 -1 -1 73 88 0 -1 -1 74 86 0 0 1 75 77 0 0 -1 75 80 -1 0 -1 75 89 0 0 0 76 83 0 0 1 77 80 -1 0 0 77 89 0 0 1 78 79 -1 1 1 78 82 -1 0 0 78 90 0 0 0 79 82 0 -1 -1 79 90 1 -1 -1 80 89 1 0 1 81 88 0 0 0 82 90 1 0 0 83 91 0 0 0 84 85 0 0 0 85 92 0 0 0 86 87 0 0 0 87 93 0 0 0 88 94 0 0 0 89 95 0 0 0 90 96 0 0 0 91 92 0 0 -1 91 93 1 -1 -1 91 95 1 0 0 91 96 1 -1 -1 92 93 1 -1 0 92 94 1 -1 0 92 95 1 0 1 93 94 0 0 0 93 96 0 0 0 94 95 0 1 1 94 96 0 0 0 95 96 0 -1 -1
Key against the archive (mofplus-deposit): the same key, character for character
TD10 as Systre prints it (mofplus-deposit): 947
Computed by (symmetry, mofplus-deposit): systre 19.6.0 sha256:0d272e98a1a21669bc67a809b95c014ba2a2fb39a6fd2147039201216ab0d48d options:--systreKey wrapper:2 — ok

Invariants — the MOF+ deposit, the graph of the uploaded topology file

TD10, exact (mofplus-deposit): 946.5
Genus (mofplus-deposit): 121
Shells walked (mofplus-deposit): 10
Computed by (invariants, mofplus-deposit): mofpp.invariants 2 — ok

Invariants — the RCSR archive key, the canonical key the archive states

TD10, exact (rcsr-archive-key): 946.5
Genus (rcsr-archive-key): 121
Shells walked (rcsr-archive-key): 10
Computed by (invariants, rcsr-archive-key): mofpp.invariants 2 — ok

Rings — the MOF+ deposit, the graph of the uploaded topology file

Net point symbol (mofplus-deposit): (3^3.8.9^2)(3^4.4^2.8.9^2.10)
Longest ring searched (mofplus-deposit): 40
Computed by (rings, mofplus-deposit): mofpp.rings 2 — ok

Computed from the graph itself, one row per set of vertices carrying the same symbols. The cycle symbol follows the MOF+ convention — the shortest cycle at each angle — and is the one comparable with the stored column above; the RCSR ring symbol names the shortest *ring* at each angle, with * where none exists within the bound, and is a different quantity.
Vertices	Cycle symbol (MOF+ convention)	RCSR ring symbol	Point symbol	Coordination sequence
0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95	3.3.3.3.4(3).4(3).8.9.9.10(3)	3.3.3.3.4.4.8.12.12.12(4)	3^4.4^2.8.9^2.10	5 8 16 26 56 83 119 164 235 263
96, 97, 98, 99, 100, 101, 102, 103, 104, 105, 106, 107, 108, 109, 110, 111, 112, 113, 114, 115, 116, 117, 118, 119, 120, 121, 122, 123, 124, 125, 126, 127, 128, 129, 130, 131, 132, 133, 134, 135, 136, 137, 138, 139, 140, 141, 142, 143, 144, 145, 146, 147, 148, 149, 150, 151, 152, 153, 154, 155, 156, 157, 158, 159, 160, 161, 162, 163, 164, 165, 166, 167, 168, 169, 170, 171, 172, 173, 174, 175, 176, 177, 178, 179, 180, 181, 182, 183, 184, 185, 186, 187, 188, 189, 190, 191	3.3.3.8.9.9	3.3.3.8.12(2).12(2)	3^3.8.9^2	4 7 17 27 46 75 127 172 184 257

Rings — the RCSR archive key, the canonical key the archive states

Net point symbol (rcsr-archive-key): (3^3.8.9^2)(3^4.4^2.8.9^2.10)
Longest ring searched (rcsr-archive-key): 40
Computed by (rings, rcsr-archive-key): mofpp.rings 2 — ok

Computed from the graph itself, one row per set of vertices carrying the same symbols. The cycle symbol follows the MOF+ convention — the shortest cycle at each angle — and is the one comparable with the stored column above; the RCSR ring symbol names the shortest *ring* at each angle, with * where none exists within the bound, and is a different quantity.
Vertices	Cycle symbol (MOF+ convention)	RCSR ring symbol	Point symbol	Coordination sequence
0, 1, 2, 3, 5, 7, 24, 25, 26, 30, 31, 32, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 70, 73, 90, 91, 92, 93, 94, 95	3.3.3.3.4(3).4(3).8.9.9.10(3)	3.3.3.3.4.4.8.12.12.12(4)	3^4.4^2.8.9^2.10	5 8 16 26 56 83 119 164 235 263
4, 6, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 27, 28, 29, 33, 34, 35, 64, 65, 66, 67, 68, 69, 71, 72, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89	3.3.3.8.9.9	3.3.3.8.12(2).12(2)	3^3.8.9^2	4 7 17 27 46 75 127 172 184 257

Cross-checks

Name against the computed key: corroborated-by-systre-key
Stored symbols against the computed ones: corroborated: 192 of 192 vertex rows agree with mofpp.rings v2 (mofplus-deposit).
Stored sequences against the computed ones: corroborated: 192 of 192 vertex rows agree with mofpp.invariants v2 (mofplus-deposit), compared on the stored length.
Catenation against the name heuristic: No; agrees with the computed value

Provenance

Source: rcsr+mofplus — reconciled from both, field by field
Identifier at the source: ibd-a
Retrieved: 2026-09-09
Licence: CC BY 4.0 — verified from MOF++ project decision, CONTEXT §6 (Licensing): MOF+ is this group's own service, so nets retrieved from it are the project's own data to license, and the project licenses its data CC BY 4.0. No third-party grant is claimed..
Published: yes

Position in the collection

RCSR index: 1004 (derived) Derived by this site, not published by RCSR: the 1-based position of the symbol in the ascending ASCII-lexicographic ordering of the 2930 symbols in the RCSR Systre archive of 2019-06-01. RCSR does not number its nets; this is our ordering of their symbols and nothing more.
Complexity rank: 2334 The order the ingest processed this net in, simplest first. A different number from the RCSR index above, meaning a different thing.

Download

Topology.mfpx
Metadata.json

Cite this record

MOF++ contributors (2026). ibd-a [net]. MOF++ dataset release unreleased. Record: https://mofpp.ramabile.casa/net/ibd-a

Permanent URI: https://mofpp.ramabile.casa/net/ibd-a
No dataset DOI has been registered yet — cite the URI and the release version. Why per-record DOIs are not minted.

Licence

CC BY 4.0

Creative Commons Attribution 4.0 International. The licence is recorded on the record itself, not site-wide — deposits may arrive under different terms.

Cite the source

Reticular Chemistry Structure Resource (RCSR) asks to be cited:

M. O'Keeffe, M. A. Peskov, S. J. Ramsden and O. M. Yaghi, 'The Reticular Chemistry Structure Resource (RCSR) Database of, and Symbols for, Crystal Nets', Acc. Chem. Res. 2008, 41, 1782-1789. DOI: 10.1021/ar800124u

© 2019 RCSR.net — https://rcsr.anu.edu.au
This reference is for the resource, not for this net. RCSR publishes a primary reference per net, but the Systre archive distributed as RCSRnets-2019-06-01.arc carries an empty 'ref' field in all 2930 records. The citation shown is for the RCSR resource as a whole, not for this net specifically.

From a script

from mofplus import user_api
api = user_api()
api.get_net("ibd-a")

Or without the client: curl https://mofpp.ramabile.casa/net/ibd-a.json