s-net: sqc5812
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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 | 26 |
| Transitivity (vertex,edge) | (5,7) |
| Vertex degrees | {3,4,7,4,4} |
| Vertex coordination sequence | [(3, 8, 26, 47, 64, 101, 152, 190, 231, 298), (4, 14, 29, 47, 76, 111, 147, 192, 246, 302), (7, 17, 28, 49, 83, 114, 143, 193, 256, 305), (4, 7, 20, 45, 68, 100, 146, 188, 234, 298), (4, 12, 26, 41, 66, 112, 154, 178, 228, 314)] |
| Wells’ vertex symbol | [6^2.8, 4^3.6^2.8, 4^7.6^8.8^6, 4^5.6, 4^6] |
| Systre key | (3, 1, 2, 0, 0, 0, 1, 2, 1, 0, 0, 1, 3, 0, 0, 0, 1, 4, 0, 0, 0, 1, 5, 0, 0, 0, 1, 6, 0, 0, 0, 1, 6, 1, 0, 0, 2, 7, 0, 0, 0, 2, 8, 0, 0, 0, 3, 4, 0, 1, 0, 3, 8, 0, 0, 0, 3, 9, 0, 0, 0, 4, 5, 0, -1, 0, 4, 10, 0, 0, 0, 4, 10, 1, 0, 0, 4, 11, 0, 0, 0, 4, 11, 1, 0, 0, 5, 8, 1, 0, 0, 5, 9, 1, 0, 0, 6, 7, 0, 0, 1, 6, 9, 0, 0, 0, 7, 12, 0, 0, 0, 8, 10, 0, 1, 0, 9, 11, 0, 1, 0, 10, 12, 0, 0, 0, 11, 12, 0, 0, 1) |
Geometric data
Systre equilibrium placement (barycentric embedding) maximising unit cell volume
Spacegroup: Pmmm
Parameters:
| a | b | c | alpha | beta | gamma |
|---|---|---|---|---|---|
| 1.95253 | 3.34915 | 3.65259 | 90.0 | 90.0 | 90.0 |
Vertex positions:
| X-pos | Y-pos | Z-pos |
|---|---|---|
| 0 | 0.35 | 0 |
| 0 | 0.2 | 0.35714 |
| 0.5 | 0.225 | 0.5 |
| 0 | 0 | 0.42857 |
| 0.25 | 0 | 0.5 |
Edge end points:
Systre coordinates favouring equal edge-lengths
Spacegroup: Pmmm
Parameters:
| a | b | c | alpha | beta | gamma |
|---|---|---|---|---|---|
| 0.9599 | 1.70772 | 1.47566 | 90.0 | 90.0 | 90.0 |
Vertex positions:
| X-pos | Y-pos | Z-pos |
|---|---|---|
| 0 | 0.25141 | 0 |
| 0 | 0.40602 | 0.33771 |
| 0.5 | 0.15784 | 0.5 |
| 0 | 0 | 0.33797 |
| 0.19938 | 0 | 0.5 |
Edge end points:
