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Barycentric geometry maximising unit cell volume
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Systre crystallographic geometry file (.cgd) |
topcryst |
Vertices per primitive translational unit | 16 |
Edges per primitive translational unit | 34 |
Transitivity (vertex,edge) | (3,5) |
Vertex degrees | {4,4,5} |
Vertex coordination sequence | [(4, 11, 24, 40, 74, 111, 146, 191, 256, 319), (4, 12, 25, 48, 75, 111, 150, 198, 251, 310), (5, 12, 28, 49, 80, 111, 155, 202, 251, 311)] |
Wells’ vertex symbol | [4.5^4.8, 4^2.5^2.6.7, 4^4.5^2.6^4] |
Systre key | (3, 1, 2, 0, 0, 0, 1, 3, 0, 0, 0, 1, 4, 0, 0, 0, 1, 5, 0, 0, 0, 1, 6, 0, 0, 0, 2, 7, 0, 0, 0, 2, 8, 0, 0, 0, 2, 9, 0, 0, 0, 2, 10, 0, 0, 0, 3, 7, 0, 0, 0, 3, 11, 0, 0, 0, 3, 12, 0, 0, 0, 4, 8, 0, 0, 0, 4, 11, 1, 0, 0, 4, 13, 0, 0, 0, 5, 9, 0, 0, 0, 5, 11, 0, 1, 0, 5, 14, 0, 0, 0, 6, 10, 0, 0, 0, 6, 11, 1, 1, 0, 6, 15, 0, 0, 0, 7, 12, 0, 0, 1, 7, 16, 0, 0, 0, 8, 13, 0, 0, 1, 8, 16, 1, 0, 0, 9, 14, 0, 0, 1, 9, 16, 0, 1, 0, 10, 15, 0, 0, 1, 10, 16, 1, 1, 0, 11, 16, 0, 0, 0, 12, 13, -1, 0, 0, 12, 14, 0, 0, 0, 13, 15, 0, 0, 0, 14, 15, -1, 0, 0) |
Spacegroup: P4/mmm
Parameters:
a | b | c | alpha | beta | gamma |
---|---|---|---|---|---|
3.14757 | 3.14757 | 2.85886 | 90.0 | 90.0 | 90.0 |
Vertex positions:
X-pos | Y-pos | Z-pos |
---|---|---|
0.4 | 0.4 | 0 |
0.3 | 0.3 | 0.36364 |
0 | 0.5 | 0.40909 |
Edge end points:
Spacegroup: P4/mmm
Parameters:
a | b | c | alpha | beta | gamma |
---|---|---|---|---|---|
2.81969 | 2.81969 | 2.95493 | 90.0 | 90.0 | 90.0 |
Vertex positions:
X-pos | Y-pos | Z-pos |
---|---|---|
0.32268 | 0.32268 | 0 |
0.26976 | 0.26976 | 0.33079 |
0 | 0.5 | 0.3308 |
Edge end points: