s-net: sqc3940
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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 | 21 |
| Transitivity (vertex,edge) | (4,5) |
| Vertex degrees | {7,6,4,4} |
| Vertex coordination sequence | [(7, 23, 50, 87, 135, 194, 263, 343, 434, 535), (6, 21, 49, 86, 134, 195, 263, 342, 435, 535), (4, 12, 34, 73, 122, 180, 250, 330, 420, 522), (4, 10, 30, 73, 124, 178, 250, 332, 418, 522)] |
| Wells’ vertex symbol | [4^9.6^10.8^2, 4^9.6^6, 4^6, 4^6] |
| Systre key | (3, 1, 2, 0, 0, 0, 1, 2, 0, 1, 0, 1, 2, 1, 0, 0, 1, 2, 1, 1, 0, 1, 3, 0, 0, 0, 1, 4, 0, 0, 0, 2, 5, 0, 0, 0, 2, 6, 0, 0, 0, 2, 7, 0, 0, 0, 3, 6, 0, 1, 0, 3, 7, 0, 0, 0, 3, 8, 0, 0, 0, 4, 6, 1, 1, 0, 4, 7, 1, 0, 0, 4, 8, 0, 0, 0, 5, 6, 0, 0, 1, 5, 7, 0, 0, 1, 5, 8, -1, -1, 1, 5, 8, -1, 0, 1, 5, 8, 0, -1, 1, 5, 8, 0, 0, 1) |
Geometric data
Systre equilibrium placement (barycentric embedding) maximising unit cell volume
Spacegroup: Pmmm
Parameters:
| a | b | c | alpha | beta | gamma |
|---|---|---|---|---|---|
| 1.80613 | 1.80694 | 3.61164 | 90.0 | 90.0 | 90.0 |
Vertex positions:
| X-pos | Y-pos | Z-pos |
|---|---|---|
| 0 | 0 | 0.1875 |
| 0.5 | 0.5 | 0.125 |
| 0.25 | 0 | 0 |
| 0.5 | 0.25 | 0 |
Edge end points:
Systre coordinates favouring equal edge-lengths
Spacegroup: Pmmm
Parameters:
| a | b | c | alpha | beta | gamma |
|---|---|---|---|---|---|
| 0.62056 | 1.2575 | 2.11656 | 90.0 | 90.0 | 90.0 |
Vertex positions:
| X-pos | Y-pos | Z-pos |
|---|---|---|
| 0 | 0 | 0.25221 |
| 0.5 | 0.5 | 0.1128 |
| 0.12795 | 0 | 0 |
| 0.5 | 0.24371 | 0 |
Edge end points:
