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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 | 48 |
Edges per primitive translational unit | 96 |
Transitivity (vertex,edge) | (3,6) |
Vertex degrees | {4,4,4} |
Vertex coordination sequence | [(4, 9, 17, 30, 52, 79, 108, 150, 207, 270), (4, 9, 17, 30, 52, 79, 109, 151, 203, 263), (4, 9, 17, 30, 52, 79, 110, 150, 202, 264)] |
Wells’ vertex symbol | [4^3.6^3, 4^3.6^3, 4^3.6^3] |
Systre key | (3, 1, 2, 0, 0, 0, 1, 3, 0, 0, 0, 1, 4, 0, 0, 0, 1, 5, 0, 0, 0, 2, 6, 0, 0, 0, 2, 7, 0, 0, 0, 2, 8, 0, 0, 0, 3, 6, 0, 0, 0, 3, 9, 0, 0, 0, 3, 10, 0, 0, 0, 4, 7, 0, 0, 0, 4, 9, 1, 0, 0, 4, 11, 0, 0, 0, 5, 11, 0, 0, 0, 5, 12, 0, 0, 0, 5, 13, 0, 0, 0, 6, 14, 0, 0, 0, 6, 15, 0, 0, 0, 7, 15, 1, 0, 0, 7, 16, 0, 0, 0, 8, 16, 0, 0, 0, 8, 17, 0, 0, 0, 8, 18, 0, 0, 0, 9, 15, 0, 0, 0, 9, 19, 0, 0, 0, 10, 19, 0, 0, 0, 10, 20, 0, 0, 0, 10, 21, 0, 0, 0, 11, 22, 0, 0, 0, 11, 23, 0, 0, 0, 12, 22, 0, 0, 0, 12, 24, 0, 0, 0, 12, 25, 0, 0, 0, 13, 21, 0, 0, 0, 13, 25, 0, 0, 0, 13, 26, 0, 0, 0, 14, 27, 0, 0, 0, 14, 28, 0, 0, 0, 14, 29, 0, 0, 0, 15, 28, 0, 0, 0, 16, 30, 0, 0, 0, 16, 31, 0, 0, 0, 17, 29, 0, 0, 0, 17, 32, 0, 0, 0, 17, 33, 0, 0, 0, 18, 31, 0, 0, 0, 18, 33, 0, 0, 0, 18, 34, 0, 0, 0, 19, 35, 0, 0, 0, 19, 36, 0, 0, 0, 20, 36, 0, 0, 0, 20, 37, 0, 0, 0, 20, 38, 0, 0, 0, 21, 38, 0, 0, 0, 21, 39, 0, 0, 0, 22, 32, 0, 1, 0, 22, 40, 0, 0, 0, 23, 32, 0, 1, 0, 23, 33, 0, 1, 0, 23, 35, 1, 0, 0, 24, 34, -1, 1, 0, 24, 37, 0, 1, 0, 24, 40, 0, 0, 0, 25, 30, 0, 0, 1, 25, 38, 0, 1, 0, 26, 30, 0, 0, 1, 26, 31, 0, 0, 1, 26, 39, 0, 0, 0, 27, 41, 0, 0, 0, 27, 42, 0, 0, 0, 27, 43, 0, 0, 0, 28, 43, 0, 0, 0, 28, 44, 0, 0, 0, 29, 42, 0, 0, 0, 29, 45, 0, 0, 0, 30, 44, 1, 0, 0, 31, 46, 0, 0, 0, 32, 45, 0, 0, 0, 33, 42, 1, -1, 1, 34, 41, 1, -1, 1, 34, 46, 0, 0, 0, 35, 42, 0, 0, 1, 35, 45, 0, 0, 1, 36, 45, 0, 0, 1, 36, 47, 0, 0, 0, 37, 41, 0, -1, 1, 37, 47, 0, 0, 0, 38, 44, 1, -1, 1, 39, 43, 1, -1, 1, 39, 44, 1, -1, 1, 40, 46, -1, 1, 0, 40, 47, 0, 1, -1, 41, 48, 0, 0, 0, 43, 48, 0, 0, 0, 46, 48, 1, -1, 0, 47, 48, 0, -1, 1) |
Spacegroup: I41/acd
Parameters:
a | b | c | alpha | beta | gamma |
---|---|---|---|---|---|
5.5995 | 5.5995 | 6.079 | 90.0 | 90.0 | 90.0 |
Vertex positions:
X-pos | Y-pos | Z-pos |
---|---|---|
0.08333 | 0.2 | 0.39286 |
0.08333 | 0.4 | 0.0119 |
0.45 | 0 | 0.09524 |
Edge end points:
Spacegroup: I41/acd
Parameters:
a | b | c | alpha | beta | gamma |
---|---|---|---|---|---|
4.62881 | 4.62881 | 4.60098 | 90.0 | 90.0 | 90.0 |
Vertex positions:
X-pos | Y-pos | Z-pos |
---|---|---|
0.08066 | 0.21143 | 0.28689 |
0.36051 | 0.14056 | 0.22685 |
0.23481 | 0.26554 | 0.10253 |
Edge end points:
Image | h-net name | Orbifold symbol | Transitivity (Vert,Edge,Face) | Vertex Degree | 2D Vertex Symbol |
---|---|---|---|---|---|
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hqc55 | *246 | (1,2,3) | {4} | {4.4.6.4} |
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