s-net: sqc5304
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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 | {3,4,4,3,3} |
| Vertex coordination sequence | [(3, 8, 16, 30, 45, 68, 93, 132, 174, 200), (4, 9, 19, 28, 51, 71, 105, 133, 161, 212), (4, 9, 18, 33, 48, 82, 100, 125, 166, 199), (3, 7, 18, 31, 53, 68, 97, 131, 164, 204), (3, 8, 16, 31, 46, 71, 100, 138, 177, 194)] |
| Wells’ vertex symbol | [6^2.7, 6^3.7^2.8, 4.7^4.8, 4.7^2, 6^2.8] |
| Systre key | (3, 1, 2, 0, 0, 0, 1, 2, 1, 0, 0, 1, 3, 0, 0, 0, 1, 4, 0, 0, 0, 2, 5, 0, 0, 0, 3, 6, 0, 0, 0, 3, 7, 0, 0, 0, 3, 8, 0, 0, 0, 4, 9, 0, 0, 0, 4, 10, 0, 0, 0, 5, 8, 0, 1, 0, 5, 8, 1, 1, 0, 6, 7, -1, 0, 0, 6, 11, 0, 0, 0, 7, 11, 0, 0, 0, 8, 9, -1, -1, 0, 9, 12, 0, 0, 0, 10, 11, 0, 0, 1, 10, 13, 0, 0, 0, 10, 13, 1, 0, 0, 11, 12, -1, -1, -1, 12, 14, 0, 0, 0, 12, 14, 1, 0, 0, 13, 14, 0, 0, 0) |
Geometric data
Systre equilibrium placement (barycentric embedding) maximising unit cell volume
Spacegroup: Pmmm
Parameters:
| a | b | c | alpha | beta | gamma |
|---|---|---|---|---|---|
| 4.98456 | 3.71624 | 1.82128 | 90.0 | 90.0 | 90.0 |
Vertex positions:
| X-pos | Y-pos | Z-pos |
|---|---|---|
| 0.16667 | 0.4 | 0 |
| 0.16667 | 0.3 | 0.5 |
| 0.33333 | 0 | 0.5 |
| 0.5 | 0 | 0.25 |
| 0 | 0.4 | 0.5 |
Edge end points:
Systre coordinates favouring equal edge-lengths
Spacegroup: Pmmm
Parameters:
| a | b | c | alpha | beta | gamma |
|---|---|---|---|---|---|
| 4.80673 | 3.44231 | 1.82782 | 90.0 | 90.0 | 90.0 |
Vertex positions:
| X-pos | Y-pos | Z-pos |
|---|---|---|
| 0.18999 | 0.35475 | 0 |
| 0.19013 | 0.23683 | 0.5 |
| 0.31062 | 0 | 0.5 |
| 0.5 | 0 | 0.27355 |
| 0 | 0.35475 | 0.5 |
Edge end points:
