s-net: sqc3997
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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 | {3,4,3,4} |
| Vertex coordination sequence | [(3, 5, 10, 21, 35, 62, 95, 125, 168, 215), (4, 6, 14, 24, 46, 74, 100, 144, 184, 220), (3, 8, 22, 34, 57, 88, 111, 152, 196, 228), (4, 10, 16, 38, 54, 80, 120, 148, 184, 246)] |
| Wells’ vertex symbol | [3.8^2, 3^2.4.8^2.9, 8^2.10, 8^4.10^2] |
| Systre key | (3, 1, 2, 0, 0, 0, 1, 3, 0, 0, 0, 1, 4, 0, 0, 0, 1, 5, 0, 0, 0, 2, 5, 1, 0, 0, 2, 6, 0, 0, 0, 3, 7, 0, 0, 0, 3, 8, 0, 0, 0, 3, 9, 0, 0, 0, 4, 10, 0, 0, 0, 4, 11, 0, 0, 0, 4, 12, 0, 0, 0, 5, 6, 0, 1, 0, 6, 8, 0, -1, -1, 6, 11, 0, 0, 1, 7, 8, 0, 0, 0, 7, 12, 1, 1, 1, 8, 9, 0, 0, 0, 9, 10, -1, 0, 1, 10, 11, 0, 0, 0, 11, 12, 0, 0, 0) |
Geometric data
Systre equilibrium placement (barycentric embedding) maximising unit cell volume
Spacegroup: Fmmm
Parameters:
| a | b | c | alpha | beta | gamma |
|---|---|---|---|---|---|
| 6.27477 | 4.58216 | 5.61462 | 90.0 | 90.0 | 90.0 |
Vertex positions:
| X-pos | Y-pos | Z-pos |
|---|---|---|
| 0.25 | 0.125 | 0.25 |
| 0.2 | 0.25 | 0.25 |
| 0 | 0.375 | 0 |
| 0 | 0.25 | 0.25 |
Edge end points:
Systre coordinates favouring equal edge-lengths
Spacegroup: Fmmm
Parameters:
| a | b | c | alpha | beta | gamma |
|---|---|---|---|---|---|
| 6.0003 | 5.46249 | 2.00726 | 90.0 | 90.0 | 90.0 |
Vertex positions:
| X-pos | Y-pos | Z-pos |
|---|---|---|
| 0.25 | 0.09151 | 0.25 |
| 0.16666 | 0.25 | 0.25 |
| 0 | 0.40841 | 0 |
| 0 | 0.25 | 0.25 |
Edge end points:
