s-net: sqc846
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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 | 12 |
| Transitivity (vertex,edge) | (3,5) |
| Vertex degrees | {5,4,3} |
| Vertex coordination sequence | [(5, 15, 30, 47, 71, 104, 141, 183, 230, 281), (4, 10, 22, 44, 72, 102, 140, 182, 228, 284), (3, 7, 16, 35, 67, 99, 130, 176, 226, 276)] |
| Wells’ vertex symbol | [4^3.6^5.8^2, 4^2.6^4, 4.6^2] |
| Systre key | (3, 1, 1, -1, 0, 0, 1, 2, 0, 0, 0, 1, 3, 0, 0, 0, 1, 4, 0, 0, 0, 2, 2, -1, 0, 0, 2, 3, 0, 1, 0, 2, 4, 0, 1, 0, 3, 5, 0, 0, 0, 3, 6, 0, 0, 0, 4, 5, 0, 0, 1, 4, 6, 0, 0, 1, 5, 6, 1, 0, 0) |
Geometric data
Systre equilibrium placement (barycentric embedding) maximising unit cell volume
Spacegroup: Pmmm
Parameters:
| a | b | c | alpha | beta | gamma |
|---|---|---|---|---|---|
| 2.9068 | 2.90649 | 1.30065 | 90.0 | 90.0 | 90.0 |
Vertex positions:
| X-pos | Y-pos | Z-pos |
|---|---|---|
| 0 | 0.25 | 0 |
| 0.25 | 0 | 0 |
| 0.5 | 0 | 0.25 |
Edge end points:
Systre coordinates favouring equal edge-lengths
Spacegroup: Pmmm
Parameters:
| a | b | c | alpha | beta | gamma |
|---|---|---|---|---|---|
| 2.61972 | 2.11925 | 0.95767 | 90.0 | 90.0 | 90.0 |
Vertex positions:
| X-pos | Y-pos | Z-pos |
|---|---|---|
| 0 | 0.26383 | 0 |
| 0.31692 | 0 | 0 |
| 0.5 | 0 | 0.03041 |
Edge end points:
