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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 | 24 |
Edges per primitive translational unit | 42 |
Transitivity (vertex,edge) | (4,6) |
Vertex degrees | {4,3,4,3} |
Vertex coordination sequence | [(4, 6, 15, 29, 37, 46, 66, 96, 116, 138), (3, 5, 11, 23, 36, 48, 63, 85, 111, 135), (4, 11, 20, 24, 32, 50, 66, 90, 130, 159), (3, 6, 10, 16, 34, 56, 64, 77, 110, 145)] |
Wells’ vertex symbol | [3^2.4.8^3, 3.8^2, 4.8^4.12, 8^2.12] |
Systre key | (3, 1, 2, 0, 0, 0, 1, 3, 0, 0, 0, 1, 4, 0, 0, 0, 1, 5, 0, 0, 0, 2, 3, 1, 0, 0, 2, 4, 0, 0, 0, 2, 5, 0, 0, 0, 3, 6, 0, 0, 0, 3, 7, 0, 0, 0, 4, 8, 0, 0, 0, 5, 9, 0, 0, 0, 6, 10, 0, 0, 0, 6, 11, 0, 0, 0, 6, 12, 0, 0, 0, 7, 11, 0, 0, 0, 7, 13, 0, 0, 0, 7, 14, 0, 0, 0, 8, 15, 0, 0, 0, 8, 16, 0, 0, 0, 9, 17, 0, 0, 0, 9, 18, 0, 0, 0, 10, 12, 1, 0, 0, 10, 18, 0, 1, 0, 10, 19, 0, 0, 0, 11, 20, 0, 0, 0, 11, 21, 0, 0, 0, 12, 18, -1, 1, 0, 12, 19, -1, 0, 0, 13, 14, 1, 0, 0, 13, 16, 0, 0, 1, 13, 22, 0, 0, 0, 14, 16, -1, 0, 1, 14, 22, -1, 0, 0, 15, 19, 0, 0, 0, 15, 23, 0, 0, 0, 17, 22, 0, 0, 0, 17, 24, 0, 0, 0, 20, 21, 1, 0, 0, 20, 23, 0, 0, 1, 20, 24, 0, 1, 0, 21, 23, -1, 0, 1, 21, 24, -1, 1, 0) |
Spacegroup: P4/mmm
Parameters:
a | b | c | alpha | beta | gamma |
---|---|---|---|---|---|
5.83514 | 5.83514 | 3.09905 | 90.0 | 90.0 | 90.0 |
Vertex positions:
X-pos | Y-pos | Z-pos |
---|---|---|
0.16129 | 0.16129 | 0.1 |
0.12903 | 0.27419 | 0 |
0.08065 | 0.08065 | 0.5 |
0.06452 | 0.5 | 0 |
Edge end points:
Spacegroup: P4/mmm
Parameters:
a | b | c | alpha | beta | gamma |
---|---|---|---|---|---|
5.37411 | 5.37411 | 2.72948 | 90.0 | 90.0 | 90.0 |
Vertex positions:
X-pos | Y-pos | Z-pos |
---|---|---|
0.15912 | 0.15912 | 0.18318 |
0.1284 | 0.31731 | 1 |
0.09304 | 0.09304 | 0.5 |
0.09304 | 0.5 | 1 |
Edge end points: