s-net: sqc5540
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| Systre crystallographic geometry file (.cgd) |
Links to this net in other databases
| topcryst |
Topological data
| Vertices per primitive translational unit | 14 |
| Edges per primitive translational unit | 24 |
| Transitivity (vertex,edge) | (5,7) |
| Vertex degrees | {3,3,4,4,3} |
| Vertex coordination sequence | [(3, 6, 10, 19, 26, 35, 72, 106, 107, 126), (3, 5, 11, 16, 26, 49, 65, 80, 115, 131), (4, 6, 12, 17, 34, 55, 65, 84, 118, 137), (4, 9, 11, 26, 42, 42, 71, 101, 106, 142), (3, 7, 18, 25, 33, 50, 59, 89, 132, 147)] |
| Wells’ vertex symbol | [8.10^2, 3.8^2, 3^2.4.6.7^2, 4.6.10^4, 4.10^2] |
| 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, 7, 0, 0, 0, 4, 8, 0, 0, 0, 4, 9, 0, 0, 0, 5, 10, 0, 0, 0, 5, 11, 0, 0, 0, 5, 12, 0, 0, 0, 6, 9, 0, 1, 0, 6, 11, 0, 1, 0, 7, 9, 0, 0, 0, 7, 13, 0, 0, 0, 8, 9, 0, 0, 0, 8, 14, 0, 0, 0, 10, 11, 0, 0, 0, 10, 13, 0, 0, 1, 11, 12, 0, 0, 0, 12, 14, 0, 0, 1, 13, 14, 1, 0, 0) |
Geometric data
Systre equilibrium placement (barycentric embedding) maximising unit cell volume
Spacegroup: Pmmm
Parameters:
| a | b | c | alpha | beta | gamma |
|---|---|---|---|---|---|
| 4.74255 | 3.16217 | 4.50143 | 90.0 | 90.0 | 90.0 |
Vertex positions:
| X-pos | Y-pos | Z-pos |
|---|---|---|
| 0 | 0.3 | 0 |
| 0.2 | 0.1 | 0 |
| 0.3 | 0 | 0.05556 |
| 0.5 | 0 | 0.27778 |
| 0.5 | 0.25 | 0.5 |
Edge end points:
Systre coordinates favouring equal edge-lengths
Spacegroup: Pmmm
Parameters:
| a | b | c | alpha | beta | gamma |
|---|---|---|---|---|---|
| 4.69558 | 2.51364 | 3.84036 | 90.0 | 90.0 | 90.0 |
Vertex positions:
| X-pos | Y-pos | Z-pos |
|---|---|---|
| 0 | 0.30109 | 0 |
| 0.19533 | 0.14258 | 0 |
| 0.36323 | 0 | 0.13019 |
| 0.5 | 0 | 0.32979 |
| 0.5 | 0.30108 | 0.5 |
Edge end points:
