s-net: sqc5619
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| Systre crystallographic geometry file (.cgd) |
Links to this net in other databases
| topcryst |
Topological data
| Vertices per primitive translational unit | 12 |
| Edges per primitive translational unit | 25 |
| Transitivity (vertex,edge) | (5,6) |
| Vertex degrees | {3,4,4,4,7} |
| Vertex coordination sequence | [(3, 10, 19, 52, 75, 119, 181, 263, 272, 415), (4, 10, 24, 52, 88, 134, 172, 268, 320, 392), (4, 12, 32, 46, 104, 126, 204, 238, 360, 370), (4, 18, 28, 62, 94, 148, 176, 302, 296, 440), (7, 12, 30, 56, 99, 128, 227, 236, 336, 409)] |
| Wells’ vertex symbol | [3.5^2, 5^4.7.8, 5^4.8^2, 5^4.8^2, 3^4.4^6.5^4.6^2.7^4.8] |
| Systre key | (3, 1, 2, 0, 0, 0, 1, 3, 0, 0, 0, 1, 4, 0, 0, 0, 1, 5, 0, 0, 0, 1, 6, 0, 0, 0, 1, 7, 0, 0, 0, 1, 8, 0, 0, 0, 2, 5, 1, 0, 0, 2, 9, 0, 0, 0, 2, 10, 0, 0, 0, 3, 5, 0, 0, 0, 3, 11, 0, 0, 0, 4, 5, 0, 0, 0, 4, 12, 0, 0, 0, 5, 6, 0, 0, 0, 5, 7, 0, 0, 0, 5, 8, 0, 1, 0, 6, 12, 0, 0, 1, 7, 11, -1, -1, -1, 8, 9, -1, -1, -1, 8, 10, 0, 0, 1, 9, 11, 0, 0, 0, 9, 12, 1, 0, 1, 10, 11, 0, -1, -1, 10, 12, 0, 0, 0) |
Geometric data
Systre equilibrium placement (barycentric embedding) maximising unit cell volume
Spacegroup: Fmmm
Parameters:
| a | b | c | alpha | beta | gamma |
|---|---|---|---|---|---|
| 4.68137 | 4.67914 | 4.56749 | 90.0 | 90.0 | 90.0 |
Vertex positions:
| X-pos | Y-pos | Z-pos |
|---|---|---|
| 0.08333 | 0.08333 | 0 |
| 0.25 | 0.25 | 0 |
| 0.25 | 0.25 | 0.25 |
| 0 | 0.25 | 0.25 |
| 0 | 0 | 0.0625 |
Edge end points:
Systre coordinates favouring equal edge-lengths
Spacegroup: Fmmm
Parameters:
| a | b | c | alpha | beta | gamma |
|---|---|---|---|---|---|
| 3.9772 | 3.12545 | 4.0991 | 90.0 | 90.0 | 90.0 |
Vertex positions:
| X-pos | Y-pos | Z-pos |
|---|---|---|
| 0.21414 | 0.07694 | 0 |
| 0.25 | 0.25 | 0 |
| 0.25 | 0.25 | 0.25 |
| 0 | 0.25 | 0.25 |
| 0 | 0 | 0.11517 |
Edge end points:
