Barycentric geometry maximising unit cell volume
|
Systre crystallographic geometry file (.cgd) |
topcryst |
Vertices per primitive translational unit | 4 |
Edges per primitive translational unit | 9 |
Transitivity (vertex,edge) | (4,6) |
Vertex degrees | {4,4,6,4} |
Vertex coordination sequence | [(4, 16, 38, 66, 102, 146, 198, 258, 326, 402), (4, 12, 30, 58, 94, 138, 190, 250, 318, 394), (6, 18, 38, 66, 102, 146, 198, 258, 326, 402), (4, 12, 30, 58, 94, 138, 190, 250, 318, 394)] |
Wells’ vertex symbol | [6^6, 6^5.8, 4^4.6^10.8, 4^4.6^2] |
Systre key | (3, 1, 1, -1, 0, 0, 1, 2, 0, 0, 0, 1, 2, 0, 0, 1, 1, 3, 0, 0, 0, 1, 3, 0, 1, 0, 2, 2, -1, 0, 0, 3, 4, 0, 0, 0, 3, 4, 0, 0, 1, 4, 4, -1, 0, 0) |
Spacegroup: Pmmm
Parameters:
a | b | c | alpha | beta | gamma |
---|---|---|---|---|---|
2.47258 | 1.01003 | 1.74866 | 90.0 | 90.0 | 90.0 |
Vertex positions:
X-pos | Y-pos | Z-pos |
---|---|---|
0 | 0 | 0 |
0 | 0 | 0.5 |
0.5 | 0 | 0 |
0.5 | 0 | 0.5 |
Edge end points:
Spacegroup: Pmmm
Parameters:
a | b | c | alpha | beta | gamma |
---|---|---|---|---|---|
2.00007 | 1.00001 | 1.99995 | 90.0 | 90.0 | 90.0 |
Vertex positions:
X-pos | Y-pos | Z-pos |
---|---|---|
0 | 0 | 0 |
0 | 0 | 0.5 |
0.5 | 0 | 0 |
0.5 | 0 | 0.5 |
Edge end points: