s-net: sqc1987
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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, 14, 25, 42, 67, 98, 131, 170, 215, 266), (4, 12, 25, 44, 67, 96, 130, 170, 214, 264), (3, 8, 21, 42, 65, 94, 127, 166, 211, 262)] |
| Wells’ vertex symbol | [4^2.6^8, 4.6^5, 6^3] |
| 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, 5, 0, 0, 0, 2, 6, 0, 0, 0, 3, 6, 0, 1, 0, 3, 7, 0, 0, 0, 4, 5, 0, 0, 1, 4, 5, 1, 0, 1, 4, 7, 0, 0, 1, 4, 7, 1, 0, 1, 5, 8, 0, 0, 0, 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 |
|---|---|---|---|---|---|
| 2.6945 | 1.63496 | 2.83318 | 90.0 | 90.0 | 90.0 |
Vertex positions:
| X-pos | Y-pos | Z-pos |
|---|---|---|
| 0.28947 | 0 | 0 |
| 0.18421 | 0.5 | 0.16667 |
| 0.34211 | 0.5 | 0.5 |
Edge end points:
Systre coordinates favouring equal edge-lengths
Spacegroup: Pmmm
Parameters:
| a | b | c | alpha | beta | gamma |
|---|---|---|---|---|---|
| 2.66643 | 1.63508 | 2.82506 | 90.0 | 90.0 | 90.0 |
Vertex positions:
| X-pos | Y-pos | Z-pos |
|---|---|---|
| 0.31248 | 0 | 0 |
| 0.18752 | 0.5 | 0.16626 |
| 0.31249 | 0.5 | 0.5 |
Edge end points:
