s-net: sqc5539
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| Systre crystallographic geometry file (.cgd) |
Links to this net in other databases
| topcryst |
Topological data
| Vertices per primitive translational unit | 14 |
| Edges per primitive translational unit | 24 |
| Transitivity (vertex,edge) | (5,7) |
| Vertex degrees | {3,4,3,4,3} |
| Vertex coordination sequence | [(3, 7, 14, 25, 40, 59, 84, 120, 150, 175), (4, 8, 15, 27, 42, 66, 93, 115, 152, 177), (3, 8, 12, 25, 42, 61, 94, 123, 148, 175), (4, 9, 16, 29, 50, 68, 86, 115, 140, 189), (3, 7, 18, 31, 45, 64, 87, 113, 146, 177)] |
| Wells’ vertex symbol | [4.8^2, 4.5^2.8^3, 5^2.8, 4.8^5, 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, 9, 0, 0, 0, 5, 10, 0, 0, 0, 6, 9, 0, 0, 0, 7, 8, 1, 0, 0, 7, 11, 0, 0, 0, 8, 11, 0, 0, 0, 9, 12, 0, 0, 0, 10, 11, 0, 0, 1, 10, 13, 0, 0, 0, 10, 14, 0, 0, 0, 11, 12, 0, 1, -1, 12, 13, 0, 0, 0, 12, 14, 0, 0, 0, 13, 14, 1, 0, 0) |
Geometric data
Systre equilibrium placement (barycentric embedding) maximising unit cell volume
Spacegroup: Pmmm
Parameters:
| a | b | c | alpha | beta | gamma |
|---|---|---|---|---|---|
| 5.08255 | 2.39551 | 3.4733 | 90.0 | 90.0 | 90.0 |
Vertex positions:
| X-pos | Y-pos | Z-pos |
|---|---|---|
| 0.33333 | 0.25 | 0 |
| 0.33333 | 0 | 0.14286 |
| 0.5 | 0 | 0.07143 |
| 0.16667 | 0 | 0.5 |
| 0 | 0.25 | 0.5 |
Edge end points:
Systre coordinates favouring equal edge-lengths
Spacegroup: Pmmm
Parameters:
| a | b | c | alpha | beta | gamma |
|---|---|---|---|---|---|
| 4.53357 | 2.32871 | 3.16457 | 90.0 | 90.0 | 90.0 |
Vertex positions:
| X-pos | Y-pos | Z-pos |
|---|---|---|
| 0.28583 | 0.28529 | 0 |
| 0.28628 | 0 | 0.23618 |
| 0.5 | 0 | 0.158 |
| 0.16487 | 0 | 0.5 |
| 0 | 0.28529 | 0.5 |
Edge end points:
