s-net: sqc3961
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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 | 21 |
| Transitivity (vertex,edge) | (4,6) |
| Vertex degrees | {4,3,4,3} |
| Vertex coordination sequence | [(4, 10, 18, 32, 54, 84, 112, 148, 196, 242), (3, 8, 16, 27, 49, 76, 107, 145, 190, 239), (4, 12, 24, 36, 56, 90, 120, 156, 196, 254), (3, 6, 12, 24, 42, 70, 104, 144, 185, 230)] |
| Wells’ vertex symbol | [5^2.6^2.7.8, 5.6^2, 5^4.8^2, 6^2.10] |
| Systre key | (3, 1, 2, 0, 0, 0, 1, 3, 0, 0, 0, 1, 3, 1, 0, 0, 1, 4, 0, 0, 0, 2, 5, 0, 0, 0, 2, 6, 0, 0, 0, 2, 7, 0, 0, 0, 3, 5, 0, 1, 0, 3, 8, 0, 0, 0, 4, 8, 1, 1, 0, 4, 9, 0, 0, 0, 4, 10, 0, 0, 0, 5, 9, -1, -1, 0, 5, 10, 0, -1, 0, 6, 8, 0, 0, 0, 6, 11, 0, 0, 0, 7, 8, 1, 0, 0, 7, 11, 0, 0, 1, 9, 12, 0, 0, 0, 10, 12, -1, 0, 1, 11, 12, -1, -1, 0) |
Geometric data
Systre equilibrium placement (barycentric embedding) maximising unit cell volume
Spacegroup: Fmmm
Parameters:
| a | b | c | alpha | beta | gamma |
|---|---|---|---|---|---|
| 6.61568 | 2.7018 | 6.42926 | 90.0 | 90.0 | 90.0 |
Vertex positions:
| X-pos | Y-pos | Z-pos |
|---|---|---|
| 0.25 | 0.25 | 0.07353 |
| 0.33333 | 0 | 0.05882 |
| 0.25 | 0.25 | 0.25 |
| 0 | 0 | 0.47059 |
Edge end points:
Systre coordinates favouring equal edge-lengths
Spacegroup: Fmmm
Parameters:
| a | b | c | alpha | beta | gamma |
|---|---|---|---|---|---|
| 7.4639 | 2.00011 | 6.00005 | 90.0 | 90.0 | 90.0 |
Vertex positions:
| X-pos | Y-pos | Z-pos |
|---|---|---|
| 0.25 | 0.25 | 0.08333 |
| 0.36602 | 0 | 0.08288 |
| 0.25 | 0.25 | 0.25 |
| 0 | 0 | 0.41667 |
Edge end points:
