Barycentric geometry maximising unit cell volume
|
Systre crystallographic geometry file (.cgd) |
topcryst |
Vertices per primitive translational unit | 4 |
Edges per primitive translational unit | 11 |
Transitivity (vertex,edge) | (2,5) |
Vertex degrees | {3,8} |
Vertex coordination sequence | [(3, 13, 43, 88, 142, 212, 294, 384, 492, 612), (8, 27, 58, 101, 158, 226, 306, 401, 506, 623)] |
Wells’ vertex symbol | [4^3, 3^3.4^13.5^3.6^9] |
Systre key | (3, 1, 1, -1, 0, 0, 1, 1, 0, -1, 0, 1, 2, -1, 0, 0, 1, 2, 0, 0, 0, 1, 3, 0, 0, 0, 1, 4, 0, 0, 0, 2, 2, -1, 0, 0, 2, 2, 0, -1, 0, 2, 3, 0, 0, 1, 2, 4, 0, 0, 1, 3, 4, 1, 0, 0) |
Spacegroup: Cmmm
Parameters:
a | b | c | alpha | beta | gamma |
---|---|---|---|---|---|
4.82023 | 1.13634 | 1.39135 | 90.0 | 90.0 | 90.0 |
Vertex positions:
X-pos | Y-pos | Z-pos |
---|---|---|
0 | 0.25 | 0 |
0.33333 | 0 | 0 |
Edge end points:
Spacegroup: Cmmm
Parameters:
a | b | c | alpha | beta | gamma |
---|---|---|---|---|---|
3.68342 | 0.95772 | 0.99818 | 90.0 | 90.0 | 90.0 |
Vertex positions:
X-pos | Y-pos | Z-pos |
---|---|---|
0 | 0.46962 | 0 |
0.36978 | 0 | 0 |
Edge end points: