s-net: sqc3850
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| Systre crystallographic geometry file (.cgd) |
Links to this net in other databases
| topcryst |
Topological data
| Vertices per primitive translational unit | 12 |
| Edges per primitive translational unit | 20 |
| Transitivity (vertex,edge) | (4,6) |
| Vertex degrees | {3,4,3,3} |
| Vertex coordination sequence | [(3, 7, 12, 23, 42, 58, 79, 104, 127, 164), (4, 7, 14, 27, 38, 61, 84, 97, 136, 158), (3, 8, 10, 21, 44, 57, 80, 105, 118, 163), (3, 8, 16, 27, 44, 55, 76, 114, 131, 158)] |
| Wells’ vertex symbol | [4.10^2, 4.5^2.8.10^2, 5^2.8, 8.10^2] |
| Systre key | (3, 1, 2, 0, 0, 0, 1, 3, 0, 0, 0, 1, 4, 0, 0, 0, 1, 5, 0, 0, 0, 2, 3, 1, 0, 0, 2, 6, 0, 0, 0, 3, 6, 0, 0, 0, 4, 6, 0, 1, 0, 4, 7, 0, 0, 0, 5, 8, 0, 0, 0, 5, 9, 0, 0, 0, 6, 8, 0, 0, 0, 7, 9, 0, 0, 1, 7, 10, 0, 0, 0, 8, 10, 0, -1, -1, 9, 11, 0, 0, 0, 9, 12, 0, 0, 0, 10, 11, 0, 1, 1, 10, 12, 0, 1, 1, 11, 12, 1, 0, 0) |
Geometric data
Systre equilibrium placement (barycentric embedding) maximising unit cell volume
Spacegroup: Pmmm
Parameters:
| a | b | c | alpha | beta | gamma |
|---|---|---|---|---|---|
| 4.67357 | 2.6993 | 3.19299 | 90.0 | 90.0 | 90.0 |
Vertex positions:
| X-pos | Y-pos | Z-pos |
|---|---|---|
| 0.33333 | 0.25 | 0 |
| 0.33333 | 0 | 0.14286 |
| 0.5 | 0 | 0.07143 |
| 0.16667 | 0 | 0.5 |
Edge end points:
Systre coordinates favouring equal edge-lengths
Spacegroup: Pmmm
Parameters:
| a | b | c | alpha | beta | gamma |
|---|---|---|---|---|---|
| 4.13598 | 2.54673 | 2.90141 | 90.0 | 90.0 | 90.0 |
Vertex positions:
| X-pos | Y-pos | Z-pos |
|---|---|---|
| 0.25945 | 0.30367 | 0 |
| 0.2604 | 0 | 0.2185 |
| 0.5 | 0 | 0.17232 |
| 0.12089 | 0 | 0.5 |
Edge end points:
