s-net: sqc3839
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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, 8, 11, 20, 33, 55, 80, 95, 119, 148), (4, 8, 13, 22, 38, 57, 76, 97, 120, 149), (3, 7, 13, 23, 38, 54, 72, 93, 123, 151), (3, 6, 14, 28, 42, 51, 68, 101, 122, 144)] |
| Wells’ vertex symbol | [5^2.6, 4.5^2.6.9^2, 4.10^2, 10^3] |
| 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, 4, 1, 0, 0, 2, 6, 0, 0, 0, 3, 7, 0, 0, 0, 4, 7, 0, 1, 0, 5, 6, -1, 0, 0, 5, 8, 0, 0, 0, 6, 9, 0, 0, 0, 7, 10, 0, 0, 0, 8, 9, 0, 0, 0, 8, 11, 0, 0, 0, 8, 12, 0, 0, 0, 9, 11, 1, 0, 0, 9, 12, 1, 0, 0, 10, 11, 0, 1, 1, 10, 12, 0, 0, 1) |
Geometric data
Systre equilibrium placement (barycentric embedding) maximising unit cell volume
Spacegroup: Pmmm
Parameters:
| a | b | c | alpha | beta | gamma |
|---|---|---|---|---|---|
| 3.27359 | 2.53702 | 5.00308 | 90.0 | 90.0 | 90.0 |
Vertex positions:
| X-pos | Y-pos | Z-pos |
|---|---|---|
| 0 | 0.38889 | 0 |
| 0 | 0.27778 | 0.14286 |
| 0.16667 | 0.5 | 0.21429 |
| 0.5 | 0.5 | 0.35714 |
Edge end points:
Systre coordinates favouring equal edge-lengths
Spacegroup: Pmmm
Parameters:
| a | b | c | alpha | beta | gamma |
|---|---|---|---|---|---|
| 2.93102 | 2.37955 | 4.77973 | 90.0 | 90.0 | 90.0 |
Vertex positions:
| X-pos | Y-pos | Z-pos |
|---|---|---|
| 0 | 0.28988 | 0 |
| 0 | 0.21012 | 0.20541 |
| 0.21022 | 0.5 | 0.28496 |
| 0.5 | 0.5 | 0.39539 |
Edge end points:
