s-net: sqc2002
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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 | {3,7,3} |
| Vertex coordination sequence | [(3, 13, 30, 46, 84, 134, 152, 210, 304, 314), (7, 15, 28, 63, 91, 110, 179, 231, 252, 359), (3, 13, 30, 48, 87, 132, 157, 214, 292, 330)] |
| Wells’ vertex symbol | [4.5^2, 4^3.5^4.6^6.7^6.8^2, 4.6^2] |
| 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, 6, 0, 1, 0, 3, 4, -1, 0, 0, 3, 5, 0, 0, 1, 4, 5, 0, 0, 1, 5, 7, 0, 0, 0, 5, 7, 1, 0, 0, 5, 8, 0, 0, 0, 5, 8, 1, 0, 0, 7, 8, 0, 1, 0) |
Geometric data
Systre equilibrium placement (barycentric embedding) maximising unit cell volume
Spacegroup: Pmmm
Parameters:
| a | b | c | alpha | beta | gamma |
|---|---|---|---|---|---|
| 3.32815 | 1.48883 | 2.354 | 90.0 | 90.0 | 90.0 |
Vertex positions:
| X-pos | Y-pos | Z-pos |
|---|---|---|
| 0 | 0.25 | 0 |
| 0.25 | 0 | 0 |
| 0.25 | 0.5 | 0.25 |
Edge end points:
Systre coordinates favouring equal edge-lengths
Spacegroup: Pmmm
Parameters:
| a | b | c | alpha | beta | gamma |
|---|---|---|---|---|---|
| 2.92145 | 1.55493 | 2.25789 | 90.0 | 90.0 | 90.0 |
Vertex positions:
| X-pos | Y-pos | Z-pos |
|---|---|---|
| 0 | 0.17846 | 0 |
| 0.32885 | 0 | 0 |
| 0.32957 | 0.5 | 0.27855 |
Edge end points:
