s-net: sqc3000
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| Systre crystallographic geometry file (.cgd) |
Links to this net in other databases
| topcryst |
Topological data
| Vertices per primitive translational unit | 10 |
| Edges per primitive translational unit | 18 |
| Transitivity (vertex,edge) | (4,5) |
| Vertex degrees | {3,4,3,5} |
| Vertex coordination sequence | [(3, 7, 14, 27, 45, 66, 83, 103, 128, 175), (4, 7, 16, 31, 44, 64, 88, 99, 140, 179), (3, 8, 16, 27, 43, 59, 81, 118, 134, 167), (5, 9, 18, 29, 39, 60, 91, 115, 146, 167)] |
| Wells’ vertex symbol | [4.8^2, 4.8^5, 4.8^2, 4^6.8^4] |
| Systre key | (3, 1, 2, 0, 0, 0, 1, 3, 0, 0, 0, 1, 4, 0, 0, 0, 1, 5, 0, 0, 0, 1, 6, 0, 0, 0, 2, 3, 1, 0, 0, 2, 4, 1, 0, 0, 2, 5, 1, 0, 0, 2, 6, 1, 0, 0, 3, 7, 0, 0, 0, 4, 7, 0, 1, 0, 5, 8, 0, 0, 0, 6, 8, 0, 1, 0, 7, 9, 0, 0, 0, 7, 10, 0, 0, 0, 8, 9, 0, 0, 1, 8, 10, 0, 0, 1, 9, 10, 1, 0, 0) |
Geometric data
Systre equilibrium placement (barycentric embedding) maximising unit cell volume
Spacegroup: Pmmm
Parameters:
| a | b | c | alpha | beta | gamma |
|---|---|---|---|---|---|
| 3.99746 | 2.34142 | 3.09557 | 90.0 | 90.0 | 90.0 |
Vertex positions:
| X-pos | Y-pos | Z-pos |
|---|---|---|
| 0 | 0.25 | 0 |
| 0.2 | 0 | 0 |
| 0.4 | 0 | 0.33333 |
| 0.5 | 0.16667 | 0.5 |
Edge end points:
Systre coordinates favouring equal edge-lengths
Spacegroup: Pmmm
Parameters:
| a | b | c | alpha | beta | gamma |
|---|---|---|---|---|---|
| 3.84977 | 2.13212 | 2.91008 | 90.0 | 90.0 | 90.0 |
Vertex positions:
| X-pos | Y-pos | Z-pos |
|---|---|---|
| 0 | 0.26549 | 0 |
| 0.21413 | 0 | 0 |
| 0.37136 | 0 | 0.27354 |
| 0.5 | 0.26549 | 0.5 |
Edge end points:
