s-net: sqc5614
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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 | {3,4,6,4,4} |
| Vertex coordination sequence | [(3, 8, 26, 47, 60, 79, 120, 164, 193, 246), (4, 12, 20, 38, 61, 90, 125, 152, 196, 237), (6, 11, 20, 34, 65, 96, 116, 156, 197, 243), (4, 7, 16, 27, 54, 88, 118, 156, 182, 230), (4, 10, 14, 27, 48, 90, 136, 146, 172, 228)] |
| Wells’ vertex symbol | [8.10^2, 4^3.8^3, 4^7.6^4.8^4, 4^5.6, 4^6] |
| Systre key | (3, 1, 2, 0, 0, 0, 1, 2, 1, 0, 0, 1, 3, 0, 0, 0, 1, 3, 1, 0, 0, 1, 4, 0, 0, 0, 1, 5, 0, 0, 0, 2, 6, 0, 0, 0, 2, 7, 0, 0, 0, 3, 6, 0, 1, 0, 3, 8, 0, 0, 0, 4, 7, 0, 0, 0, 4, 8, 0, 0, 0, 4, 9, 0, 0, 0, 5, 7, 1, 0, 0, 5, 8, 1, 0, 0, 5, 9, 0, 0, 0, 6, 10, 0, 0, 0, 7, 11, 0, 0, 0, 8, 12, 0, 0, 0, 9, 11, 0, 0, 0, 9, 11, 1, 0, 0, 9, 12, 0, 0, 0, 9, 12, 1, 0, 0, 10, 11, 0, 1, 1, 10, 12, 0, 0, 1) |
Geometric data
Systre equilibrium placement (barycentric embedding) maximising unit cell volume
Spacegroup: Pmmm
Parameters:
| a | b | c | alpha | beta | gamma |
|---|---|---|---|---|---|
| 5.06098 | 3.71409 | 1.98426 | 90.0 | 90.0 | 90.0 |
Vertex positions:
| X-pos | Y-pos | Z-pos |
|---|---|---|
| 0.30769 | 0 | 0 |
| 0.11538 | 0.35714 | 0 |
| 0.07692 | 0.5 | 0.5 |
| 0 | 0.42857 | 0 |
| 0 | 0.5 | 0.25 |
Edge end points:
Systre coordinates favouring equal edge-lengths
Spacegroup: Pmmm
Parameters:
| a | b | c | alpha | beta | gamma |
|---|---|---|---|---|---|
| 4.14127 | 2.84573 | 1.45462 | 90.0 | 90.0 | 90.0 |
Vertex positions:
| X-pos | Y-pos | Z-pos |
|---|---|---|
| 0.37926 | 0 | 0 |
| 0.21693 | 0.26016 | 0 |
| 0.23423 | 0.5 | 0.5 |
| 0 | 0.4145 | 0 |
| 0 | 0.5 | 0.33312 |
Edge end points:
