s-net: sqc1119
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Barycentric geometry maximising unit cell volume
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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 | 13 |
| Transitivity (vertex,edge) | (3,5) |
| Vertex degrees | {3,4,3} |
| Vertex coordination sequence | [(3, 6, 11, 18, 34, 55, 65, 80, 111, 133), (4, 7, 11, 24, 38, 44, 67, 95, 100, 130), (3, 7, 14, 21, 33, 52, 65, 83, 118, 137)] |
| Wells’ vertex symbol | [4.6.8, 4.6.10^4, 4.12^2] |
| Systre key | (3, 1, 2, 0, 0, 0, 1, 3, 0, 0, 0, 1, 4, 0, 0, 0, 1, 5, 0, 0, 0, 2, 3, 1, 0, 0, 2, 6, 0, 0, 0, 3, 6, 0, 0, 0, 4, 5, 0, 1, 0, 4, 7, 0, 0, 0, 5, 8, 0, 0, 0, 6, 7, 0, 0, 1, 6, 8, 0, 0, 1, 7, 8, 0, 1, 0) |
Geometric data
Systre equilibrium placement (barycentric embedding) maximising unit cell volume
Spacegroup: Pmmm
Parameters:
| a | b | c | alpha | beta | gamma |
|---|---|---|---|---|---|
| 2.60247 | 3.35857 | 3.00456 | 90.0 | 90.0 | 90.0 |
Vertex positions:
| X-pos | Y-pos | Z-pos |
|---|---|---|
| 0.16667 | 0.4 | 0 |
| 0.5 | 0.2 | 0 |
| 0.5 | 0 | 0.25 |
Edge end points:
Systre coordinates favouring equal edge-lengths
Spacegroup: Pmmm
Parameters:
| a | b | c | alpha | beta | gamma |
|---|---|---|---|---|---|
| 2.58465 | 3.42777 | 2.59431 | 90.0 | 90.0 | 90.0 |
Vertex positions:
| X-pos | Y-pos | Z-pos |
|---|---|---|
| 0.19345 | 0.35413 | 0 |
| 0.5 | 0.17615 | 0 |
| 0.5 | 0 | 0.30727 |
Edge end points:
