s-net: sqc2250
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| Systre crystallographic geometry file (.cgd) |
Links to this net in other databases
| topcryst |
Topological data
| Vertices per primitive translational unit | 7 |
| Edges per primitive translational unit | 17 |
| Transitivity (vertex,edge) | (4,4) |
| Vertex degrees | {14,3,4,4} |
| Vertex coordination sequence | [(14, 34, 118, 170, 334, 418, 662, 778, 1102, 1250), (3, 24, 45, 159, 198, 418, 462, 786, 838, 1266), (4, 48, 88, 212, 280, 484, 584, 868, 1000, 1364), (4, 8, 70, 108, 276, 316, 588, 636, 1012, 1068)] |
| Wells’ vertex symbol | [3^8.4^16.6^34.7^8.8^21.9^4, 3.6^2, 4^4.6^2, 6^6] |
| Systre key | (3, 1, 1, 0, -1, 0, 1, 2, 0, 0, 0, 1, 2, 0, 0, 1, 1, 2, 1, 0, 0, 1, 2, 1, 0, 1, 1, 3, 0, -1, 0, 1, 3, 0, 0, 0, 1, 4, 0, -1, 0, 1, 4, 0, 0, 0, 1, 5, 0, -1, 0, 1, 5, 0, 0, 0, 1, 6, 0, -1, 0, 1, 6, 0, 0, 0, 3, 7, 0, 0, 0, 4, 7, 1, 0, 0, 5, 7, 0, 0, 1, 6, 7, 1, 0, 1) |
Geometric data
Systre equilibrium placement (barycentric embedding) maximising unit cell volume
Spacegroup: P4/mmm
Parameters:
| a | b | c | alpha | beta | gamma |
|---|---|---|---|---|---|
| 1.89149 | 1.89149 | 1.41007 | 90.0 | 90.0 | 90.0 |
Vertex positions:
| X-pos | Y-pos | Z-pos |
|---|---|---|
| 0 | 0 | 0 |
| 0.16667 | 0.16667 | 0.5 |
| 0.5 | 0.5 | 0 |
| 0.5 | 0.5 | 0.5 |
Edge end points:
Systre coordinates favouring equal edge-lengths
Spacegroup: P4/mmm
Parameters:
| a | b | c | alpha | beta | gamma |
|---|---|---|---|---|---|
| 1.77228 | 1.77228 | 1.55325 | 90.0 | 90.0 | 90.0 |
Vertex positions:
| X-pos | Y-pos | Z-pos |
|---|---|---|
| 0 | 0 | 0 |
| 0.1362 | 0.1362 | 0.5 |
| 0.5 | 0.5 | 0 |
| 0.5 | 0.5 | 0.5 |
Edge end points:
