Niahite
Carling S G, Day P, Visser D
Inorganic Chemistry 34 (1995) 3917-3927
Crystal and magnetic structures of layer transition metal phosphate hydrates
Locality: synthetic
Sample: T = 21.4 K
Note: atomic positions from ICSD
_database_code_amcsd 0012715
CELL PARAMETERS: 5.7142 8.8255 4.8762 90.000 90.000 90.000
SPACE GROUP: Pmn2_1
X-RAY WAVELENGTH: 1.541838
Cell Volume: 245.910
Density (g/cm3): 2.511
MAX. ABS. INTENSITY / VOLUME**2: 31.81573026
RIR: 4.125
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
10.02 100.00 8.8255 0 1 0 2
18.50 11.66 4.7966 1 1 0 4
20.12 1.50 4.4127 0 2 0 2
20.81 16.69 4.2681 0 1 1 2
23.99 3.84 3.7092 1 0 1 2
26.06 12.73 3.4195 1 1 1 4
27.26 1.51 3.2719 0 2 1 2
30.38 1.18 2.9418 0 3 0 2
31.31 18.70 2.8571 2 0 0 2
31.51 48.22 2.8394 1 2 1 4
32.95 1.73 2.7182 2 1 0 4
35.64 4.79 2.5189 0 3 1 2
36.87 5.00 2.4381 0 0 2 1
37.90 5.42 2.3742 2 1 1 4
38.30 1.27 2.3501 0 1 2 2
39.08 11.14 2.3049 1 3 1 4
41.98 6.23 2.1521 2 2 1 4
42.35 3.76 2.1340 0 2 2 2
43.99 2.28 2.0583 1 4 0 4
47.98 4.68 1.8963 1 4 1 4
48.49 4.52 1.8772 0 3 2 2
49.12 4.71 1.8546 2 0 2 2
50.27 6.17 1.8150 2 1 2 4
51.22 2.03 1.7834 1 3 2 4
51.79 1.54 1.7651 0 5 0 2
52.39 3.27 1.7463 2 4 0 4
52.62 2.36 1.7394 3 1 1 4
53.60 3.47 1.7097 2 2 2 4
54.40 2.84 1.6865 1 5 0 4
55.85 6.76 1.6461 3 2 1 4
56.23 2.57 1.6359 0 4 2 2
58.70 1.17 1.5728 1 4 2 4
58.86 1.18 1.5689 2 3 2 4
59.09 2.33 1.5634 1 0 3 2
60.10 2.46 1.5394 1 1 3 4
60.98 2.55 1.5193 3 3 1 4
61.78 3.70 1.5016 2 5 0 4
63.09 1.39 1.4736 1 2 3 4
65.26 1.20 1.4297 0 5 2 2
65.32 2.89 1.4286 4 0 0 2
66.28 1.08 1.4102 4 1 0 4
67.09 2.27 1.3950 2 1 3 4
67.78 1.27 1.3826 3 4 1 4
67.89 1.42 1.3805 1 3 3 4
69.91 1.41 1.3455 2 2 3 4
75.23 1.74 1.2631 2 6 1 4
80.45 1.11 1.1937 1 7 1 4
82.40 1.22 1.1703 1 5 3 4
85.12 1.02 1.1398 3 3 3 4
86.75 1.09 1.1225 2 7 1 4
================================================================================
XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.