s-net: sqc2594
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| Systre crystallographic geometry file (.cgd) |
Links to this net in other databases
| topcryst |
Topological data
| Vertices per primitive translational unit | 8 |
| Edges per primitive translational unit | 18 |
| Transitivity (vertex,edge) | (4,4) |
| Vertex degrees | {3,10,6,4} |
| Vertex coordination sequence | [(3, 18, 23, 75, 72, 176, 144, 316, 240, 496), (10, 14, 50, 50, 130, 110, 250, 194, 410, 302), (6, 22, 30, 82, 78, 182, 150, 322, 246, 502), (4, 10, 36, 46, 118, 106, 238, 190, 398, 298)] |
| Wells’ vertex symbol | [4^3, 4^12.6^20.8^13, 4^8.6^7, 4^4.6^2] |
| Systre key | (3, 1, 2, 0, 0, 0, 1, 2, 0, 0, 1, 1, 3, 0, 0, 0, 1, 3, 0, 1, 0, 1, 4, 0, 0, 0, 1, 4, 1, 0, 0, 2, 5, 0, 0, 0, 2, 5, 0, 1, 0, 2, 6, 0, 0, 0, 2, 6, 1, 0, 0, 2, 7, 0, 0, 0, 2, 7, 0, 1, 0, 2, 8, 0, 0, 0, 2, 8, 1, 0, 0, 3, 5, 0, 0, 1, 3, 7, 0, 0, 0, 4, 6, 0, 0, 1, 4, 8, 0, 0, 0) |
Geometric data
Systre equilibrium placement (barycentric embedding) maximising unit cell volume
Spacegroup: P4/mmm
Parameters:
| a | b | c | alpha | beta | gamma |
|---|---|---|---|---|---|
| 2.01767 | 2.01767 | 2.28728 | 90.0 | 90.0 | 90.0 |
Vertex positions:
| X-pos | Y-pos | Z-pos |
|---|---|---|
| 0 | 0.5 | 0.16667 |
| 0 | 0 | 1 |
| 0 | 0 | 0.5 |
| 0 | 0.5 | 0.5 |
Edge end points:
Systre coordinates favouring equal edge-lengths
Spacegroup: P4/mmm
Parameters:
| a | b | c | alpha | beta | gamma |
|---|---|---|---|---|---|
| 1.98302 | 1.98302 | 1.63837 | 90.0 | 90.0 | 90.0 |
Vertex positions:
| X-pos | Y-pos | Z-pos |
|---|---|---|
| 0 | 0.5 | 0.14625 |
| 0 | 0 | 1 |
| 0 | 0 | 0.5 |
| 0 | 0.5 | 0.5 |
Edge end points:
