s-net: sqc5615
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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 | {7,3,4,4,4} |
| Vertex coordination sequence | [(7, 17, 38, 61, 93, 148, 199, 237, 310, 395), (3, 14, 30, 60, 92, 133, 187, 251, 303, 381), (4, 16, 30, 54, 104, 130, 188, 256, 308, 376), (4, 10, 26, 56, 86, 140, 180, 240, 328, 376), (4, 9, 26, 56, 91, 132, 187, 241, 324, 375)] |
| Wells’ vertex symbol | [4^3.5^4.6^4.7^4.8^2.9^2.10^2, 4.5^2, 4^2.5^4, 4^2.5^4, 4.5^4.8] |
| Systre key | (3, 1, 2, 0, 0, 0, 1, 2, 1, 0, 0, 1, 3, 0, 0, 0, 1, 4, 0, 0, 0, 1, 4, 1, 0, 0, 1, 5, 0, 0, 0, 1, 6, 0, 0, 0, 2, 7, 0, 0, 0, 3, 5, 0, 1, 0, 3, 8, 0, 0, 0, 3, 9, 0, 0, 0, 4, 7, 0, 0, 1, 5, 6, 0, -1, 0, 5, 10, 0, 0, 0, 5, 10, 1, 0, 0, 5, 11, 0, 0, 0, 5, 11, 1, 0, 0, 6, 8, 0, 0, 1, 6, 9, 0, 0, 1, 7, 8, 0, 0, 0, 7, 9, -1, 0, 0, 8, 12, 0, 0, 0, 9, 12, 1, 0, 0, 10, 12, 0, -1, 0, 11, 12, 0, -1, 1) |
Geometric data
Systre equilibrium placement (barycentric embedding) maximising unit cell volume
Spacegroup: Pmmm
Parameters:
| a | b | c | alpha | beta | gamma |
|---|---|---|---|---|---|
| 2.80771 | 1.91858 | 3.97155 | 90.0 | 90.0 | 90.0 |
Vertex positions:
| X-pos | Y-pos | Z-pos |
|---|---|---|
| 0 | 0 | 0.20833 |
| 0.16667 | 0.5 | 0.16667 |
| 0.25 | 0 | 0 |
| 0.5 | 0.25 | 0 |
| 0.5 | 0.5 | 0.08333 |
Edge end points:
Systre coordinates favouring equal edge-lengths
Spacegroup: Pmmm
Parameters:
| a | b | c | alpha | beta | gamma |
|---|---|---|---|---|---|
| 2.72027 | 1.86063 | 2.8266 | 90.0 | 90.0 | 90.0 |
Vertex positions:
| X-pos | Y-pos | Z-pos |
|---|---|---|
| 0 | 0 | 0.32309 |
| 0.13392 | 0.5 | 0.30801 |
| 0.14977 | 0 | 0 |
| 0.5 | 0.16328 | 0 |
| 0.5 | 0.5 | 0.27572 |
Edge end points:
