# Last edited on 2013-02-23 05:33:47 by stolfilocal
# Atom coordinates of Li0.9Mo6O17
Atomic coordinates x 10^5

Atom ! Fu !      X !      Y !      Z !    B !
-----+----+--------+--------+--------+------+
Mo_1 | 2e | -0.613 | 25.000 | 23.356 | 0.42 |
Mo_2 | 2e | 14.436 | 75.000 | 41.840 | 0.40 |
Mo_3 | 2e | 31.105 | 25.000 | 56.755 | 0.49 |
Mo_4 | 2e | 16.635 | 25.000 | -7.938 | 0.42 |
Mo_5 | 2e | 31.980 | 75.000 |  9.404 | 0.42 |
Mo_6 | 2e | 49.299 | 25.000 | 19.604 | 0.56 |
O_1  | 2e |  9.143 | 25.000 |  8.766 | 0.66 |
O_2  | 2e | 54.289 | 25.000 |  2.127 | 0.99 |
O_3  | 2e | 59.382 | 25.000 | 31.731 | 1.45 |
O_4  | 2e | 89.915 | 25.000 | 40.477 | 0.87 |
O_5  | 2e | 23.138 | 75.000 | 23.518 | 0.92 |
O_6  | 2e | 73.940 | 75.000 | 25.932 | 1.17 |
O_7  | 2e | 55.358 | 75.000 | 43.731 | 1.01 |
O_8  | 4f |  7.260 | 50.315 | 34.471 | 0.83 |
O_9  | 4f | 41.409 | 51.425 | 22.288 | 0.97 |
O_10 | 4f | 26.955 | 50.185 | -0.383 | 0.90 |
O_11 | 4f | 91.393 | 49.998 | 15.323 | 0.75 |
O_12 | 4f | 26.811 | 51.287 | 47.264 | 1.05 |
Li   | 2e | 40.240 | 75.000 | 40.904 | 2.42 |
-----+----+--------+--------+--------+------+

P2<sub>1</sub>/m, Z=2, a=1.2762  b=0.5523, c=0.9499 beta=90.61 degrees