s-net: sqc3994
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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 | 21 |
| Transitivity (vertex,edge) | (4,6) |
| Vertex degrees | {3,4,4,3} |
| Vertex coordination sequence | [(3, 7, 16, 28, 40, 59, 93, 129, 148, 161), (4, 9, 16, 26, 44, 70, 95, 116, 139, 173), (4, 9, 17, 30, 48, 68, 87, 109, 146, 190), (3, 7, 18, 33, 45, 58, 83, 119, 150, 179)] |
| Wells’ vertex symbol | [4.8^2, 4.6^3.8^2, 4.6.8^4, 4.8^2] |
| Systre key | (3, 1, 2, 0, 0, 0, 1, 3, 0, 0, 0, 1, 4, 0, 0, 0, 1, 5, 0, 0, 0, 2, 3, 1, 0, 0, 2, 6, 0, 0, 0, 3, 6, 0, 0, 0, 4, 6, 0, 1, 0, 4, 7, 0, 0, 0, 4, 8, 0, 0, 0, 5, 9, 0, 0, 0, 5, 10, 0, 0, 0, 5, 11, 0, 0, 0, 6, 12, 0, 0, 0, 7, 8, 1, 0, 0, 7, 11, 0, 0, 1, 8, 11, 0, 0, 1, 9, 10, 1, 0, 0, 9, 12, 0, 0, 0, 10, 12, 0, 0, 0, 11, 12, 0, 1, 0) |
Geometric data
Systre equilibrium placement (barycentric embedding) maximising unit cell volume
Spacegroup: Pmmm
Parameters:
| a | b | c | alpha | beta | gamma |
|---|---|---|---|---|---|
| 4.29177 | 2.21609 | 3.3232 | 90.0 | 90.0 | 90.0 |
Vertex positions:
| X-pos | Y-pos | Z-pos |
|---|---|---|
| 0.4 | 0.25 | 0 |
| 0.4 | 0 | 0.16667 |
| 0.2 | 0 | 0.5 |
| 0 | 0.25 | 0.5 |
Edge end points:
Systre coordinates favouring equal edge-lengths
Spacegroup: Pmmm
Parameters:
| a | b | c | alpha | beta | gamma |
|---|---|---|---|---|---|
| 3.84347 | 2.22017 | 3.13885 | 90.0 | 90.0 | 90.0 |
Vertex positions:
| X-pos | Y-pos | Z-pos |
|---|---|---|
| 0.36957 | 0.27479 | 0 |
| 0.36991 | 0 | 0.25243 |
| 0.20615 | 0 | 0.5 |
| 0 | 0.27479 | 0.5 |
Edge end points:
