s-net: sqc3709
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Barycentric geometry maximising unit cell volume
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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, 14, 28, 47, 67, 97, 121, 152, 196), (4, 8, 18, 29, 46, 73, 94, 124, 160, 187), (3, 8, 18, 35, 52, 65, 94, 130, 161, 196), (3, 8, 14, 27, 48, 69, 98, 122, 147, 192)] |
| Wells’ vertex symbol | [6^2.8, 6^3.8^3, 8.10^2, 6^2.8] |
| Systre key | (3, 1, 2, 0, 0, 0, 1, 2, 1, 0, 0, 1, 3, 0, 0, 0, 1, 4, 0, 0, 0, 2, 5, 0, 0, 0, 3, 6, 0, 0, 0, 3, 7, 0, 0, 0, 4, 8, 0, 0, 0, 4, 9, 0, 0, 0, 5, 7, 0, 1, 0, 5, 7, 1, 1, 0, 6, 9, 0, 0, 1, 6, 10, 0, 0, 0, 7, 8, -1, -1, 0, 8, 10, 1, 1, -1, 9, 11, 0, 0, 0, 9, 11, 1, 0, 0, 10, 12, 0, 0, 0, 10, 12, 1, 0, 0, 11, 12, 1, 1, -1) |
Geometric data
Systre equilibrium placement (barycentric embedding) maximising unit cell volume
Spacegroup: Pmmm
Parameters:
| a | b | c | alpha | beta | gamma |
|---|---|---|---|---|---|
| 4.58239 | 3.41605 | 1.87009 | 90.0 | 90.0 | 90.0 |
Vertex positions:
| X-pos | Y-pos | Z-pos |
|---|---|---|
| 0.16667 | 0.4 | 0 |
| 0.16667 | 0.3 | 0.5 |
| 0.33333 | 0 | 0.5 |
| 0 | 0.4 | 0.5 |
Edge end points:
Systre coordinates favouring equal edge-lengths
Spacegroup: Pmmm
Parameters:
| a | b | c | alpha | beta | gamma |
|---|---|---|---|---|---|
| 4.10956 | 3.29235 | 1.86251 | 90.0 | 90.0 | 90.0 |
Vertex positions:
| X-pos | Y-pos | Z-pos |
|---|---|---|
| 0.22704 | 0.34813 | 0 |
| 0.22661 | 0.23747 | 0.5 |
| 0.37833 | 0 | 0.5 |
| 1 | 0.34813 | 0.5 |
Edge end points:
