Barycentric geometry maximising unit cell volume
|
Systre crystallographic geometry file (.cgd) |
topcryst |
Vertices per primitive translational unit | 5 |
Edges per primitive translational unit | 14 |
Transitivity (vertex,edge) | (2,3) |
Vertex degrees | {8,5} |
Vertex coordination sequence | [(8, 20, 50, 96, 144, 202, 296, 380, 450, 608), (5, 21, 46, 90, 142, 206, 280, 368, 476, 576)] |
Wells’ vertex symbol | [3^4.5^4.6^16.7^4, 3^2.4^2.5^4.6^2] |
Systre key | (3, 1, 2, 0, 0, 0, 1, 2, 1, 0, 0, 1, 3, 0, 0, 0, 1, 3, 1, 0, 0, 1, 4, 0, 0, 0, 1, 4, 0, 1, 0, 1, 5, 0, 0, 0, 1, 5, 0, 1, 0, 2, 3, 0, 0, 0, 2, 4, 1, 0, 1, 2, 5, 0, 0, 1, 3, 4, 1, 1, 1, 3, 5, 0, 1, 1, 4, 5, 0, 0, 0) |
Spacegroup: P-4m2
Parameters:
a | b | c | alpha | beta | gamma |
---|---|---|---|---|---|
1.70018 | 1.70018 | 1.9009 | 90.0 | 90.0 | 90.0 |
Vertex positions:
X-pos | Y-pos | Z-pos |
---|---|---|
0 | 0 | 0 |
0.5 | 0.16667 | 0.33333 |
Edge end points:
Spacegroup: P-4m2
Parameters:
a | b | c | alpha | beta | gamma |
---|---|---|---|---|---|
1.54093 | 1.54093 | 1.71561 | 90.0 | 90.0 | 90.0 |
Vertex positions:
X-pos | Y-pos | Z-pos |
---|---|---|
0 | 0 | 0 |
0.5 | 0.32438 | 0.23076 |
Edge end points: