s-net: sqc1985
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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 | {3,4,5} |
| Vertex coordination sequence | [(3, 8, 19, 44, 73, 101, 136, 175, 219, 288), (4, 12, 27, 47, 74, 105, 138, 181, 231, 288), (5, 14, 28, 47, 70, 101, 144, 190, 235, 282)] |
| Wells’ vertex symbol | [5^2.6, 4.5^2.6^3, 4^2.6^6.8^2] |
| 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, 2, 3, 0, 1, 0, 2, 5, 0, 0, 0, 3, 6, 0, 0, 0, 4, 7, 0, 0, 0, 4, 7, 1, 0, 0, 4, 8, 0, 0, 0, 4, 8, 1, 0, 0, 5, 6, 0, 0, 0, 5, 7, 0, 0, 1, 6, 8, 0, 0, 1, 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 |
|---|---|---|---|---|---|
| 1.67349 | 2.2468 | 3.74306 | 90.0 | 90.0 | 90.0 |
Vertex positions:
| X-pos | Y-pos | Z-pos |
|---|---|---|
| 0 | 0.38889 | 0 |
| 0 | 0.27778 | 0.2 |
| 0.5 | 0.5 | 0.3 |
Edge end points:
Systre coordinates favouring equal edge-lengths
Spacegroup: Pmmm
Parameters:
| a | b | c | alpha | beta | gamma |
|---|---|---|---|---|---|
| 1.53539 | 2.10712 | 3.64286 | 90.0 | 90.0 | 90.0 |
Vertex positions:
| X-pos | Y-pos | Z-pos |
|---|---|---|
| 0 | 0.26272 | 0 |
| 0 | 0.2373 | 0.27411 |
| 0.5 | 0.5 | 0.36274 |
Edge end points:
