source: Examples/Indexing/orthorhombic/NaNbO3-S18p64-Pbma.inp @ 325

Last change on this file since 325 was 325, checked in by vondreele, 10 years ago
File size: 666 bytes
RevLine 
[325]1/*#Sodium Niobium Oxide (Lueshite), NaNb03
2#Orthorhombic, Pbma (57), 2=8. It has a distorted perovskite structure which was
3#refined by Sakowski-Cowley et al. [1969] after earlier work [Vousden, 1951; Wells
4#and Megaw, 1958].
5#Lattice constants of this sample
6#a = 5.5687(5), b = 15.523(2), c = 5.5047(6)
7#a/b = 0.3587, c/b = 0.3546
8#Volume 475.84 A 3 */
9seed     
10index_lam 1.540596
11index_zero_error     
12try_space_groups "16"
13                       
14load index_th2 {
1522.71
1622.89
1723.41
1828.57
1932.11
2032.49
2136.37
2236.61
2336.88
2438.00
2538.25
2638.41
2739.81
2840.13
2943.19
3046.35
3146.79
3251.11
3351.94
3452.30
3552.45
3652.60
3755.11
3855.32
3957.49
40}
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