s-net: sqc3992
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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 | 21 |
| Transitivity (vertex,edge) | (4,6) |
| Vertex degrees | {4,3,4,3} |
| Vertex coordination sequence | [(4, 8, 15, 27, 40, 55, 79, 111, 138, 157), (3, 8, 14, 24, 41, 58, 78, 101, 130, 162), (4, 7, 16, 28, 41, 64, 80, 94, 127, 168), (3, 7, 14, 27, 43, 56, 79, 105, 122, 149)] |
| Wells’ vertex symbol | [4^2.6^2.8^2, 4.8^2, 4.8^4.10, 4.8^2] |
| 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, 4, 1, 0, 0, 2, 6, 0, 0, 0, 3, 7, 0, 0, 0, 4, 7, 0, 1, 0, 5, 6, 0, 0, 0, 5, 8, 0, 0, 0, 5, 9, 0, 0, 0, 6, 8, 1, 0, 0, 6, 9, 1, 0, 0, 7, 10, 0, 0, 0, 7, 11, 0, 0, 0, 8, 12, 0, 0, 0, 9, 12, 0, 1, 0, 10, 11, 1, 0, 0, 10, 12, 0, 0, 1, 11, 12, 0, 0, 1) |
Geometric data
Systre equilibrium placement (barycentric embedding) maximising unit cell volume
Spacegroup: Pmmm
Parameters:
| a | b | c | alpha | beta | gamma |
|---|---|---|---|---|---|
| 2.19911 | 4.66517 | 3.2967 | 90.0 | 90.0 | 90.0 |
Vertex positions:
| X-pos | Y-pos | Z-pos |
|---|---|---|
| 0.25 | 0.41667 | 0 |
| 0 | 0.33333 | 0.16667 |
| 0 | 0.16667 | 0.5 |
| 0.25 | 0 | 0.5 |
Edge end points:
Systre coordinates favouring equal edge-lengths
Spacegroup: Pmmm
Parameters:
| a | b | c | alpha | beta | gamma |
|---|---|---|---|---|---|
| 2.19245 | 4.59716 | 3.00572 | 90.0 | 90.0 | 90.0 |
Vertex positions:
| X-pos | Y-pos | Z-pos |
|---|---|---|
| 0.27195 | 0.39124 | 0 |
| 0 | 0.29523 | 0.22311 |
| 0 | 0.17463 | 0.5 |
| 0.27194 | 0 | 0.5 |
Edge end points:
