s-net: sqc4382
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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 | 22 |
| Transitivity (vertex,edge) | (4,6) |
| Vertex degrees | {3,8,7,4} |
| Vertex coordination sequence | [(3, 15, 32, 67, 99, 138, 211, 279, 310, 421), (8, 14, 44, 66, 96, 166, 206, 242, 374, 410), (7, 21, 32, 69, 115, 146, 201, 275, 328, 431), (4, 12, 30, 58, 90, 140, 194, 226, 346, 396)] |
| Wells’ vertex symbol | [4.6^2, 3^4.4^12.6^4.7^4.8^4, 3^4.4^11.6^4.7^2, 3^4.4^2] |
| Systre key | (3, 1, 2, 0, 0, 0, 1, 2, 1, 0, 0, 1, 3, 0, 0, 0, 1, 4, 0, 0, 0, 1, 5, 0, 0, 0, 1, 5, 1, 0, 0, 1, 6, 0, 0, 0, 1, 7, 0, 0, 0, 2, 3, 0, 0, 0, 2, 4, -1, 0, 0, 2, 5, 0, 1, 0, 2, 8, 0, 0, 0, 2, 8, 1, 0, 0, 3, 5, 0, 0, 0, 3, 8, 1, 0, 0, 4, 5, 1, 0, 0, 4, 8, 1, 0, 0, 5, 8, 0, 0, 0, 5, 8, 1, 0, 0, 6, 7, 0, 1, 0, 6, 8, 0, 0, 1, 7, 8, 0, 0, 1) |
Geometric data
Systre equilibrium placement (barycentric embedding) maximising unit cell volume
Spacegroup: Pmmm
Parameters:
| a | b | c | alpha | beta | gamma |
|---|---|---|---|---|---|
| 3.33275 | 2.58291 | 1.82642 | 90.0 | 90.0 | 90.0 |
Vertex positions:
| X-pos | Y-pos | Z-pos |
|---|---|---|
| 0 | 0.25 | 0 |
| 0.375 | 0 | 0 |
| 0.5 | 0.125 | 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 |
|---|---|---|---|---|---|
| 3.2901 | 0.94408 | 0.7808 | 90.0 | 90.0 | 90.0 |
Vertex positions:
| X-pos | Y-pos | Z-pos |
|---|---|---|
| 0 | 0.24986 | 0 |
| 0.26738 | 0 | 0 |
| 0.5 | 0.36062 | 0.5 |
| 0.5 | 0 | 0.07447 |
Edge end points:
