Systre crystallographic geometry file (.cgd) |
topcryst |
Vertices per primitive translational unit | 18 |
Edges per primitive translational unit | 33 |
Transitivity (vertex,edge) | (7,8) |
Vertex degrees | {3,4,4,3,4,4,4} |
Vertex coordination sequence | [(3, 7, 18, 35, 65, 80, 89, 121, 170, 220), (4, 9, 20, 39, 54, 80, 108, 131, 162, 221), (4, 10, 22, 31, 50, 72, 108, 143, 176, 210), (3, 9, 19, 31, 45, 72, 97, 137, 184, 213), (4, 11, 18, 29, 46, 72, 106, 147, 194, 203), (4, 10, 16, 26, 46, 64, 100, 140, 190, 238), (4, 9, 16, 28, 48, 64, 100, 139, 186, 239)] |
Wells’ vertex symbol | [4.7^2, 4.7^4.8, 5^2.7^2.8^2, 5^2.7, 4.5^4.8, 4^2.5^4, 4.5^4.8] |
Systre key | (3, 1, 2, 0, 0, 0, 1, 2, 1, 0, 0, 1, 3, 0, 0, 0, 1, 4, 0, 0, 0, 2, 5, 0, 0, 0, 3, 6, 0, 0, 0, 3, 7, 0, 0, 0, 3, 8, 0, 0, 0, 4, 9, 0, 0, 0, 4, 10, 0, 0, 0, 4, 11, 0, 0, 0, 5, 6, 0, 0, 0, 5, 7, -1, 0, 0, 5, 12, 0, 0, 0, 6, 13, 0, 0, 0, 6, 14, 0, 0, 0, 7, 13, 0, 0, 0, 7, 14, 1, 0, 0, 8, 15, 0, 0, 0, 8, 15, 1, 0, 0, 8, 16, 0, 0, 0, 9, 10, -1, 0, 0, 9, 16, 0, 1, 0, 10, 16, 0, 1, 0, 11, 12, 0, 0, 1, 11, 12, 1, 0, 1, 11, 13, 0, 0, 1, 13, 17, 0, 0, 0, 14, 15, 0, 0, 0, 14, 18, 0, 0, 0, 16, 17, 0, 0, 1, 17, 18, 0, 0, 0, 17, 18, 1, 0, 0) |
Spacegroup: Pmmm
Parameters:
a | b | c | alpha | beta | gamma |
---|---|---|---|---|---|
5.70914 | 2.00062 | 4.71962 | 90.0 | 90.0 | 90.0 |
Vertex positions:
X-pos | Y-pos | Z-pos |
---|---|---|
0 | 0.25 | 0 |
0.18421 | 0 | 0 |
0.36842 | 0 | 0.26923 |
0.39474 | 0.5 | 0.34615 |
0.5 | 0 | 0.38462 |
0.5 | 0.25 | 0.5 |
0.44737 | 0.5 | 0.5 |
Edge end points:
Spacegroup: Pmmm
Parameters:
a | b | c | alpha | beta | gamma |
---|---|---|---|---|---|
4.95614 | 1.866 | 4.21028 | 90.0 | 90.0 | 90.0 |
Vertex positions:
X-pos | Y-pos | Z-pos |
---|---|---|
0 | 0.23204 | 0 |
0.18188 | 0 | 0 |
0.31316 | 0 | 0.18037 |
0.32355 | 0.5 | 0.26497 |
0.5 | 0 | 0.27002 |
0.5 | 0.13392 | 0.5 |
0.35265 | 0.5 | 0.5 |
Edge end points: