s-net: sqc4231
 |
|
| Systre crystallographic geometry file (.cgd) |
Links to this net in other databases
| topcryst |
Topological data
| Vertices per primitive translational unit | 11 |
| Edges per primitive translational unit | 22 |
| Transitivity (vertex,edge) | (5,5) |
| Vertex degrees | {3,3,8,6,6} |
| Vertex coordination sequence | [(3, 11, 29, 85, 146, 263, 375, 524, 686, 869), (3, 9, 28, 72, 147, 255, 385, 525, 697, 881), (8, 24, 80, 126, 252, 326, 504, 610, 844, 982), (6, 34, 70, 154, 222, 362, 462, 658, 790, 1042), (6, 18, 58, 94, 238, 286, 502, 558, 854, 918)] |
| Wells’ vertex symbol | [5^2.6, 5^2.6, 4^4.5^8.6^4.7^8.8^4, 4^4.5^8.6^2.8, 5^8.8^7] |
| Systre key | (3, 1, 2, 0, 0, 0, 1, 2, 0, 0, 1, 1, 2, 1, 0, 0, 1, 2, 1, 0, 1, 1, 3, 0, 0, 0, 1, 3, 0, 1, 0, 2, 4, 0, 0, 0, 2, 5, 0, 0, 0, 2, 6, 0, 0, 0, 2, 7, 0, 0, 0, 3, 8, 0, 0, 0, 3, 9, 0, 0, 0, 3, 10, 0, 0, 0, 3, 11, 0, 0, 0, 4, 10, 0, 0, -1, 4, 11, -1, 0, -1, 5, 9, -1, 1, 0, 5, 11, -1, 1, -1, 6, 8, 0, 1, 0, 6, 10, 0, 1, -1, 7, 8, 0, 0, 0, 7, 9, -1, 0, 0) |
Geometric data
Systre equilibrium placement (barycentric embedding) maximising unit cell volume
Spacegroup: P-4m2
Parameters:
| a | b | c | alpha | beta | gamma |
|---|---|---|---|---|---|
| 2.28381 | 2.28381 | 2.64992 | 90.0 | 90.0 | 90.0 |
Vertex positions:
| X-pos | Y-pos | Z-pos |
|---|---|---|
| 0 | 0.14286 | 0.33333 |
| 0.21429 | 0.21429 | 0.5 |
| 0 | 0 | 0 |
| 0.5 | 0.5 | 0 |
| 0.5 | 0.5 | 0.5 |
Edge end points:
Systre coordinates favouring equal edge-lengths
Spacegroup: P-4m2
Parameters:
| a | b | c | alpha | beta | gamma |
|---|---|---|---|---|---|
| 1.18652 | 1.18652 | 1.89818 | 90.0 | 90.0 | 90.0 |
Vertex positions:
| X-pos | Y-pos | Z-pos |
|---|---|---|
| 0 | 0.19165 | 0.15412 |
| 0.2014 | 0.2014 | 0.5 |
| 0 | 0 | 0 |
| 0.5 | 0.5 | 0 |
| 0.5 | 0.5 | 0.5 |
Edge end points:
