s-net: sqc2158
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| Systre crystallographic geometry file (.cgd) |
Links to this net in other databases
| topcryst |
Topological data
| Vertices per primitive translational unit | 8 |
| Edges per primitive translational unit | 16 |
| Transitivity (vertex,edge) | (3,5) |
| Vertex degrees | {5,4,3} |
| Vertex coordination sequence | [(5, 9, 14, 25, 47, 66, 85, 103, 132, 181), (4, 7, 16, 26, 44, 67, 80, 99, 151, 165), (3, 8, 15, 30, 45, 56, 85, 116, 131, 170)] |
| Wells’ vertex symbol | [3^2.4^4.10^4, 3^2.4.6.7^2, 6.10^2] |
| 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, 2, 3, 1, 0, 0, 2, 4, 1, 0, 0, 2, 5, 1, 0, 0, 2, 6, 1, 0, 0, 3, 4, 0, 0, 0, 3, 7, 0, 0, 0, 4, 8, 0, 0, 0, 5, 6, 0, 0, 0, 5, 7, 0, 1, 0, 6, 8, 0, 1, 0, 7, 8, 0, 0, 1) |
Geometric data
Systre equilibrium placement (barycentric embedding) maximising unit cell volume
Spacegroup: Pmmm
Parameters:
| a | b | c | alpha | beta | gamma |
|---|---|---|---|---|---|
| 3.09575 | 3.0976 | 3.79226 | 90.0 | 90.0 | 90.0 |
Vertex positions:
| X-pos | Y-pos | Z-pos |
|---|---|---|
| 0 | 0.16667 | 0 |
| 0.16667 | 0 | 0.05556 |
| 0.5 | 0 | 0.27778 |
Edge end points:
Systre coordinates favouring equal edge-lengths
Spacegroup: Pmmm
Parameters:
| a | b | c | alpha | beta | gamma |
|---|---|---|---|---|---|
| 2.69468 | 2.30355 | 3.25887 | 90.0 | 90.0 | 90.0 |
Vertex positions:
| X-pos | Y-pos | Z-pos |
|---|---|---|
| 0 | 0.28294 | 0 |
| 0.21163 | 0 | 0.15342 |
| 0.5 | 0 | 0.34657 |
Edge end points:
