s-net: sqc4362
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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 | 22 |
| Transitivity (vertex,edge) | (5,6) |
| Vertex degrees | {3,6,3,4,3} |
| Vertex coordination sequence | [(3, 11, 16, 36, 48, 80, 92, 164, 160, 224), (6, 9, 24, 30, 64, 71, 116, 124, 202, 195), (3, 12, 16, 38, 46, 94, 93, 148, 157, 250), (4, 7, 24, 28, 66, 71, 116, 124, 196, 195), (3, 7, 14, 39, 47, 82, 91, 163, 160, 212)] |
| Wells’ vertex symbol | [4.5^2, 4^3.5^4.7^6.9^2, 4.7^2, 4.7^4.8, 4.7^2] |
| Systre key | (3, 1, 2, 0, 0, 0, 1, 2, 1, 0, 0, 1, 3, 0, 0, 0, 1, 3, 1, 0, 0, 1, 4, 0, 0, 0, 1, 5, 0, 0, 0, 2, 6, 0, 0, 0, 3, 6, 0, 1, 0, 4, 5, -1, 0, 0, 4, 7, 0, 0, 0, 5, 7, 0, 0, 0, 6, 8, 0, 0, 0, 6, 9, 0, 0, 0, 7, 10, 0, 0, 0, 7, 10, 1, 0, 0, 7, 11, 0, 0, 0, 7, 11, 1, 0, 0, 8, 9, -1, 0, 0, 8, 12, 0, 0, 0, 9, 12, 0, 0, 0, 10, 12, 0, 0, 1, 11, 12, 0, 1, 1) |
Geometric data
Systre equilibrium placement (barycentric embedding) maximising unit cell volume
Spacegroup: Pmmm
Parameters:
| a | b | c | alpha | beta | gamma |
|---|---|---|---|---|---|
| 5.15597 | 1.59153 | 3.37408 | 90.0 | 90.0 | 90.0 |
Vertex positions:
| X-pos | Y-pos | Z-pos |
|---|---|---|
| 0 | 0.25 | 0 |
| 0.14286 | 0 | 0 |
| 0.21429 | 0.5 | 0.16667 |
| 0.35714 | 0.5 | 0.5 |
| 0.5 | 0.25 | 0.5 |
Edge end points:
Systre coordinates favouring equal edge-lengths
Spacegroup: Pmmm
Parameters:
| a | b | c | alpha | beta | gamma |
|---|---|---|---|---|---|
| 5.34998 | 1.58634 | 2.83328 | 90.0 | 90.0 | 90.0 |
Vertex positions:
| X-pos | Y-pos | Z-pos |
|---|---|---|
| 0 | 0.18482 | 0 |
| 0.1787 | 0 | 0 |
| 0.23195 | 0.5 | 0.18998 |
| 0.3213 | 0.5 | 0.5 |
| 0.5 | 0.31519 | 0.5 |
Edge end points:
