s-net: sqc1304
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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 | 14 |
| Transitivity (vertex,edge) | (3,4) |
| Vertex degrees | {5,6,3} |
| Vertex coordination sequence | [(5, 20, 36, 69, 100, 147, 208, 268, 329, 404), (6, 15, 41, 66, 104, 152, 195, 263, 340, 404), (3, 11, 28, 62, 104, 138, 200, 244, 328, 428)] |
| Wells’ vertex symbol | [4^4.6^6, 4^5.5^4.6^2.7^4, 4.5^2] |
| Systre key | (3, 1, 2, 0, 0, 0, 1, 2, 0, 1, 0, 1, 2, 1, 0, 0, 1, 2, 1, 1, 0, 1, 3, 0, 0, 0, 1, 4, 0, 0, 0, 2, 5, 0, 0, 0, 3, 4, -1, 0, 0, 3, 6, 0, 0, 0, 4, 6, 0, 0, 0, 5, 6, 0, 0, 1, 5, 6, 0, 1, 1, 5, 6, 1, 0, 1, 5, 6, 1, 1, 1) |
Geometric data
Systre equilibrium placement (barycentric embedding) maximising unit cell volume
Spacegroup: Pmmm
Parameters:
| a | b | c | alpha | beta | gamma |
|---|---|---|---|---|---|
| 1.55633 | 3.47865 | 1.39125 | 90.0 | 90.0 | 90.0 |
Vertex positions:
| X-pos | Y-pos | Z-pos |
|---|---|---|
| 0 | 0.3 | 0 |
| 0.5 | 0.2 | 0.5 |
| 0.5 | 0 | 0.25 |
Edge end points:
Systre coordinates favouring equal edge-lengths
Spacegroup: Pmmm
Parameters:
| a | b | c | alpha | beta | gamma |
|---|---|---|---|---|---|
| 1.24639 | 3.43092 | 1.48523 | 90.0 | 90.0 | 90.0 |
Vertex positions:
| X-pos | Y-pos | Z-pos |
|---|---|---|
| 0 | 0.35427 | 0 |
| 0.5 | 0.28275 | 0.5 |
| 0.5 | 0 | 0.33657 |
Edge end points:
