s-net: sqc1541
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| Systre crystallographic geometry file (.cgd) |
Links to this net in other databases
| topcryst |
Topological data
| Vertices per primitive translational unit | 6 |
| Edges per primitive translational unit | 15 |
| Transitivity (vertex,edge) | (3,5) |
| Vertex degrees | {5,7,3} |
| Vertex coordination sequence | [(5, 17, 28, 55, 95, 126, 167, 231, 284, 347), (7, 13, 34, 61, 87, 126, 179, 221, 286, 357), (3, 13, 28, 53, 87, 126, 167, 225, 282, 347)] |
| Wells’ vertex symbol | [3^2.4^4.6^4, 3^4.4^7.6^4.7^2.8^4, 4.6^2] |
| 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, 2, 3, 0, 0, 0, 2, 4, 0, 1, 0, 2, 4, 1, 1, 0, 2, 5, 0, 0, 0, 2, 6, 0, 0, 0, 3, 4, 0, 1, 0, 3, 4, 1, 1, 0, 3, 5, 0, 0, 1, 3, 6, 0, 0, 1, 5, 6, 1, 1, 0) |
Geometric data
Systre equilibrium placement (barycentric embedding) maximising unit cell volume
Spacegroup: Pmmm
Parameters:
| a | b | c | alpha | beta | gamma |
|---|---|---|---|---|---|
| 1.59976 | 2.09529 | 2.61437 | 90.0 | 90.0 | 90.0 |
Vertex positions:
| X-pos | Y-pos | Z-pos |
|---|---|---|
| 0 | 0.16667 | 0 |
| 0.5 | 0 | 0.125 |
| 0.5 | 0.25 | 0.5 |
Edge end points:
Systre coordinates favouring equal edge-lengths
Spacegroup: Pmmm
Parameters:
| a | b | c | alpha | beta | gamma |
|---|---|---|---|---|---|
| 1.50802 | 1.85217 | 2.80927 | 90.0 | 90.0 | 90.0 |
Vertex positions:
| X-pos | Y-pos | Z-pos |
|---|---|---|
| 0 | 0.23004 | 0 |
| 0.5 | 1 | 0.17797 |
| 0.5 | 0.23005 | 0.5 |
Edge end points:
