s-net: sqc1419
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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 | 14 |
| Transitivity (vertex,edge) | (3,4) |
| Vertex degrees | {3,3,5} |
| Vertex coordination sequence | [(3, 6, 14, 31, 44, 51, 76, 106, 131, 168), (3, 7, 15, 24, 41, 61, 73, 101, 138, 149), (5, 9, 14, 25, 39, 62, 89, 99, 116, 163)] |
| Wells’ vertex symbol | [8.10^2, 4.8^2, 4^6.10^4] |
| 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, 7, 0, 0, 0, 4, 7, 0, 1, 0, 5, 8, 0, 0, 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 |
|---|---|---|---|---|---|
| 2.7883 | 3.60149 | 2.78943 | 90.0 | 90.0 | 90.0 |
Vertex positions:
| X-pos | Y-pos | Z-pos |
|---|---|---|
| 0 | 0.3 | 0 |
| 0.33333 | 0.1 | 0 |
| 0.5 | 0 | 0.16667 |
Edge end points:
Systre coordinates favouring equal edge-lengths
Spacegroup: Pmmm
Parameters:
| a | b | c | alpha | beta | gamma |
|---|---|---|---|---|---|
| 2.69297 | 3.22598 | 2.32983 | 90.0 | 90.0 | 90.0 |
Vertex positions:
| X-pos | Y-pos | Z-pos |
|---|---|---|
| 0 | 0.34501 | 0 |
| 0.28618 | 0.14747 | 0 |
| 0.5 | 0 | 0.28538 |
Edge end points:
