s-net: sqc3849
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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) | (5,7) |
| Vertex degrees | {3,3,4,4,3} |
| Vertex coordination sequence | [(3, 4, 8, 19, 28, 39, 67, 96, 113, 129), (3, 6, 12, 19, 29, 47, 70, 94, 113, 131), (4, 9, 14, 21, 36, 56, 76, 89, 106, 147), (4, 8, 16, 26, 34, 52, 74, 90, 116, 146), (3, 7, 16, 29, 39, 42, 59, 99, 128, 141)] |
| Wells’ vertex symbol | [4^2.6, 4.8^2, 4.8^5, 4^2.8^4, 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, 6, 0, 0, 0, 3, 6, 0, 0, 0, 4, 6, 0, 1, 0, 4, 7, 0, 0, 0, 4, 8, 0, 0, 0, 5, 6, 0, 1, 0, 5, 9, 0, 0, 0, 5, 10, 0, 0, 0, 7, 8, 1, 0, 0, 7, 11, 0, 0, 0, 8, 12, 0, 0, 0, 9, 10, 1, 0, 0, 9, 11, 0, 0, 1, 10, 12, 0, 0, 1, 11, 12, 1, 0, 0) |
Geometric data
Systre equilibrium placement (barycentric embedding) maximising unit cell volume
Spacegroup: Pmmm
Parameters:
| a | b | c | alpha | beta | gamma |
|---|---|---|---|---|---|
| 2.41092 | 3.7576 | 4.60205 | 90.0 | 90.0 | 90.0 |
Vertex positions:
| X-pos | Y-pos | Z-pos |
|---|---|---|
| 0.42857 | 0 | 0 |
| 0.35714 | 0 | 0.16667 |
| 0 | 0 | 0.33333 |
| 0 | 0.25 | 0.5 |
| 0.25 | 0.5 | 0.5 |
Edge end points:
Systre coordinates favouring equal edge-lengths
Spacegroup: Pmmm
Parameters:
| a | b | c | alpha | beta | gamma |
|---|---|---|---|---|---|
| 2.28752 | 3.18037 | 4.6609 | 90.0 | 90.0 | 90.0 |
Vertex positions:
| X-pos | Y-pos | Z-pos |
|---|---|---|
| 0.28142 | 0 | 0 |
| 0.28142 | 0 | 0.21455 |
| 0 | 0 | 0.37873 |
| 0 | 0.25939 | 0.5 |
| 0.28142 | 0.5 | 0.5 |
Edge end points:
