s-net: sqc1115
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| Systre crystallographic geometry file (.cgd) |
Links to this net in other databases
| topcryst |
Topological data
| Vertices per primitive translational unit | 6 |
| Edges per primitive translational unit | 13 |
| Transitivity (vertex,edge) | (3,3) |
| Vertex degrees | {3,4,6} |
| Vertex coordination sequence | [(3, 12, 24, 61, 74, 141, 146, 253, 242, 397), (4, 16, 24, 66, 72, 146, 144, 258, 240, 402), (6, 12, 38, 46, 102, 108, 196, 192, 326, 298)] |
| Wells’ vertex symbol | [5^2.8, 4^4.6^2, 4^4.5^4.6^2.7^4.9] |
| Systre key | (3, 1, 2, 0, 0, 0, 1, 3, 0, 0, 0, 1, 3, 0, 1, 0, 1, 4, 0, 0, 0, 1, 4, 1, 0, 0, 1, 5, 0, 0, 0, 2, 5, 0, 0, 1, 2, 6, 0, 0, 0, 3, 6, -1, -1, -1, 3, 6, 0, -1, -1, 4, 6, -1, -1, -1, 4, 6, -1, 0, -1, 5, 6, -1, -1, -2) |
Geometric data
Systre equilibrium placement (barycentric embedding) maximising unit cell volume
Spacegroup: Fmmm
Parameters:
| a | b | c | alpha | beta | gamma |
|---|---|---|---|---|---|
| 4.18865 | 2.96058 | 2.6486 | 90.0 | 90.0 | 90.0 |
Vertex positions:
| X-pos | Y-pos | Z-pos |
|---|---|---|
| 0 | 0 | 0.375 |
| 0.25 | 0.25 | 0 |
| 0.25 | 0 | 0.25 |
Edge end points:
Systre coordinates favouring equal edge-lengths
Spacegroup: Fmmm
Parameters:
| a | b | c | alpha | beta | gamma |
|---|---|---|---|---|---|
| 3.93253 | 2.92194 | 2.73172 | 90.0 | 90.0 | 90.0 |
Vertex positions:
| X-pos | Y-pos | Z-pos |
|---|---|---|
| 0 | 0 | 0.31697 |
| 0.25 | 0.25 | 0 |
| 0.25 | 0 | 0.25 |
Edge end points:
