s-net: sqc3998
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| Systre crystallographic geometry file (.cgd) |
Links to this net in other databases
| topcryst |
Topological data
| Vertices per primitive translational unit | 12 |
| Edges per primitive translational unit | 21 |
| Transitivity (vertex,edge) | (4,6) |
| Vertex degrees | {3,3,4,4} |
| Vertex coordination sequence | [(3, 6, 12, 23, 40, 71, 105, 142, 189, 239), (3, 8, 22, 38, 61, 92, 123, 164, 212, 255), (4, 8, 16, 28, 52, 82, 116, 158, 204, 250), (4, 10, 20, 38, 62, 88, 124, 162, 208, 260)] |
| Wells’ vertex symbol | [4^2.6, 7^2.10, 4^2.6.7^2.9, 7^4.8.10] |
| Systre key | (3, 1, 2, 0, 0, 0, 1, 3, 0, 0, 0, 1, 4, 0, 0, 0, 1, 5, 0, 0, 0, 2, 5, 1, 0, 0, 2, 6, 0, 0, 0, 3, 7, 0, 0, 0, 3, 8, 0, 0, 0, 3, 9, 0, 0, 0, 4, 10, 0, 0, 0, 4, 11, 0, 0, 0, 4, 12, 0, 0, 0, 5, 6, 0, 1, 0, 6, 8, 0, -1, -1, 6, 11, 0, 0, 1, 7, 11, 1, 1, 1, 7, 12, 1, 1, 1, 8, 10, -1, 0, 1, 8, 12, 1, 1, 1, 9, 10, -1, 0, 1, 9, 11, -1, 0, 1) |
Geometric data
Systre equilibrium placement (barycentric embedding) maximising unit cell volume
Spacegroup: Fmmm
Parameters:
| a | b | c | alpha | beta | gamma |
|---|---|---|---|---|---|
| 5.52044 | 6.37228 | 3.49405 | 90.0 | 90.0 | 90.0 |
Vertex positions:
| X-pos | Y-pos | Z-pos |
|---|---|---|
| 0.25 | 0.21875 | 0 |
| 0 | 0 | 0.375 |
| 0.25 | 0.1875 | 0.25 |
| 0.25 | 0 | 0.25 |
Edge end points:
Systre coordinates favouring equal edge-lengths
Spacegroup: Fmmm
Parameters:
| a | b | c | alpha | beta | gamma |
|---|---|---|---|---|---|
| 3.46439 | 6.0 | 3.99993 | 90.0 | 90.0 | 90.0 |
Vertex positions:
| X-pos | Y-pos | Z-pos |
|---|---|---|
| 0.24994 | 0.16667 | 0 |
| 0 | 0 | 0.37499 |
| 0.25 | 0.16667 | 0.25 |
| 0.25 | 0 | 0.25 |
Edge end points:
