s-net: sqc4226
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| Systre crystallographic geometry file (.cgd) |
Links to this net in other databases
| topcryst |
Topological data
| Vertices per primitive translational unit | 6 |
| Edges per primitive translational unit | 22 |
| Transitivity (vertex,edge) | (4,5) |
| Vertex degrees | {6,14,8,4} |
| Vertex coordination sequence | [(6, 30, 86, 122, 254, 270, 510, 474, 854, 734), (14, 30, 102, 114, 278, 254, 542, 450, 894, 702), (8, 36, 60, 174, 172, 394, 340, 702, 564, 1098), (4, 28, 60, 154, 184, 366, 360, 666, 592, 1054)] |
| Wells’ vertex symbol | [3^8.4^7, 3^16.4^24.5^32.6^19, 3^8.4^8.5^8.6^4, 3^4.4^2] |
| Systre key | (3, 1, 2, 0, 0, 0, 1, 2, 0, 0, 1, 1, 2, 1, 0, 0, 1, 2, 1, 0, 1, 1, 3, 0, 0, 0, 1, 3, 0, 0, 1, 1, 4, 0, 0, 0, 1, 4, 0, 1, 0, 1, 4, 1, 0, 0, 1, 4, 1, 1, 0, 1, 5, 0, 0, 0, 1, 5, 1, 0, 0, 1, 6, 0, 0, 0, 1, 6, 0, 1, 0, 2, 3, -1, 0, 0, 2, 3, 0, 0, 0, 2, 5, 0, 0, -1, 2, 5, 0, 0, 0, 4, 5, 0, -1, 0, 4, 5, 0, 0, 0, 4, 6, -1, 0, 0, 4, 6, 0, 0, 0) |
Geometric data
Systre equilibrium placement (barycentric embedding) maximising unit cell volume
Spacegroup: P4/mmm
Parameters:
| a | b | c | alpha | beta | gamma |
|---|---|---|---|---|---|
| 1.95 | 1.95 | 1.47406 | 90.0 | 90.0 | 90.0 |
Vertex positions:
| X-pos | Y-pos | Z-pos |
|---|---|---|
| 0 | 0 | 0 |
| 0 | 0 | 0.5 |
| 0 | 0.5 | 0 |
| 0 | 0.5 | 0.5 |
Edge end points:
Systre coordinates favouring equal edge-lengths
Spacegroup: P4/mmm
Parameters:
| a | b | c | alpha | beta | gamma |
|---|---|---|---|---|---|
| 1.79616 | 1.79616 | 1.66914 | 90.0 | 90.0 | 90.0 |
Vertex positions:
| X-pos | Y-pos | Z-pos |
|---|---|---|
| 0 | 0 | 0 |
| 0 | 0 | 0.5 |
| 0 | 0.5 | 0 |
| 0 | 0.5 | 0.5 |
Edge end points:
