s-net: sqc1733
 |
|
| Systre crystallographic geometry file (.cgd) |
Links to this net in other databases
| topcryst |
Topological data
| Vertices per primitive translational unit | 8 |
| Edges per primitive translational unit | 16 |
| Transitivity (vertex,edge) | (4,6) |
| Vertex degrees | {3,6,4,3} |
| Vertex coordination sequence | [(3, 9, 25, 44, 62, 92, 134, 172, 210, 264), (6, 16, 28, 44, 70, 102, 134, 172, 220, 272), (4, 12, 24, 40, 68, 102, 134, 172, 220, 272), (3, 7, 20, 39, 59, 91, 134, 172, 210, 264)] |
| Wells’ vertex symbol | [4^3, 4^4.6^6.8^5, 4^2.6^4, 4.6^2] |
| Systre key | (3, 1, 1, -1, 0, 0, 1, 2, 0, 0, 0, 1, 3, 0, 0, 0, 1, 4, 0, 0, 0, 1, 5, 0, 0, 0, 2, 6, 0, 0, 0, 2, 7, 0, 0, 0, 2, 8, 0, 0, 0, 3, 4, 1, 0, 0, 3, 8, 0, 1, 0, 4, 8, 0, 1, 0, 5, 6, 0, 0, 1, 5, 7, 0, 0, 1, 5, 8, 0, 0, 0, 6, 7, 1, 0, 0, 8, 8, -1, 0, 0) |
Geometric data
Systre equilibrium placement (barycentric embedding) maximising unit cell volume
Spacegroup: Pmmm
Parameters:
| a | b | c | alpha | beta | gamma |
|---|---|---|---|---|---|
| 3.33356 | 1.36077 | 3.33486 | 90.0 | 90.0 | 90.0 |
Vertex positions:
| X-pos | Y-pos | Z-pos |
|---|---|---|
| 0 | 0.25 | 0 |
| 0.25 | 0 | 0 |
| 0.5 | 0 | 0.25 |
| 0.5 | 0.25 | 0.5 |
Edge end points:
Systre coordinates favouring equal edge-lengths
Spacegroup: Pmmm
Parameters:
| a | b | c | alpha | beta | gamma |
|---|---|---|---|---|---|
| 3.4238 | 1.17925 | 3.42576 | 90.0 | 90.0 | 90.0 |
Vertex positions:
| X-pos | Y-pos | Z-pos |
|---|---|---|
| 0 | 0.20193 | 0 |
| 0.2897 | 0 | 0 |
| 0.5 | 0 | 0.21068 |
| 0.5 | 0.20195 | 0.5 |
Edge end points:
