Barycentric geometry maximising unit cell volume
|
Systre crystallographic geometry file (.cgd) |
topcryst |
Vertices per primitive translational unit | 14 |
Edges per primitive translational unit | 26 |
Transitivity (vertex,edge) | (3,3) |
Vertex degrees | {6,3,4} |
Vertex coordination sequence | [(6, 18, 34, 58, 90, 126, 182, 226, 298, 350), (3, 11, 24, 51, 79, 122, 167, 219, 282, 351), (4, 8, 28, 46, 86, 120, 172, 224, 286, 350)] |
Wells’ vertex symbol | [5^8.8^7, 5^2.8, 5^2.8^4] |
Systre key | (3, 1, 2, 0, 0, 0, 1, 3, 0, 0, 0, 1, 4, 0, 0, 0, 1, 4, 1, 0, 0, 1, 5, 0, 0, 0, 1, 6, 0, 0, 0, 2, 7, 0, 0, 0, 2, 8, 0, 0, 0, 3, 8, 0, 1, 0, 3, 9, 0, 0, 0, 4, 10, 0, 0, 0, 4, 11, 0, 0, 0, 4, 12, 0, 0, 0, 4, 13, 0, 0, 0, 5, 7, 0, 0, 1, 5, 14, 0, 0, 0, 6, 9, 0, 0, 1, 6, 14, 0, 1, 0, 7, 10, 0, 0, 0, 7, 12, 0, 0, -1, 8, 10, 1, 0, 0, 8, 11, 1, -1, 0, 9, 11, 0, 0, 0, 9, 13, 0, 0, -1, 12, 14, -1, 0, 0, 13, 14, -1, 1, 0) |
Spacegroup: P42/mmc
Parameters:
a | b | c | alpha | beta | gamma |
---|---|---|---|---|---|
2.95156 | 2.95156 | 2.40994 | 90.0 | 90.0 | 90.0 |
Vertex positions:
X-pos | Y-pos | Z-pos |
---|---|---|
0 | 0 | 0.25 |
0.25 | 0.25 | 0.25 |
0.25 | 0.5 | 0 |
Edge end points:
Spacegroup: P42/mmc
Parameters:
a | b | c | alpha | beta | gamma |
---|---|---|---|---|---|
3.14616 | 3.14616 | 2.00023 | 90.0 | 90.0 | 90.0 |
Vertex positions:
X-pos | Y-pos | Z-pos |
---|---|---|
0 | 0 | 0.25 |
0.22475 | 0.22475 | 0.25 |
0.22543 | 0.5 | 0 |
Edge end points: