Aragonite
Dal Negro A, Ungaretti L
American Mineralogist 56 (1971) 768-772
Refinement of the crystal structure of aragonite
Locality: Vertaizon-Alvernia, France
_database_code_amcsd 0000236
CELL PARAMETERS: 4.9616 7.9705 5.7394 90.000 90.000 90.000
SPACE GROUP: Pmcn
X-RAY WAVELENGTH: 1.541838
Cell Volume: 226.973
Density (g/cm3): 2.929
MAX. ABS. INTENSITY / VOLUME**2: 9.899715008
RIR: 1.101
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
21.09 1.87 4.2122 1 1 0 4
26.24 100.00 3.3958 1 1 1 8
27.24 56.97 3.2735 0 2 1 4
31.17 4.31 2.8697 0 0 2 2
32.78 8.39 2.7324 1 2 1 8
33.18 52.12 2.7000 0 1 2 4
36.16 28.68 2.4841 1 0 2 4
36.21 17.84 2.4808 2 0 0 2
37.30 15.29 2.4110 0 3 1 4
37.94 41.13 2.3716 1 1 2 8
38.43 28.75 2.3422 1 3 0 4
38.66 19.27 2.3288 0 2 2 4
41.23 13.75 2.1896 2 1 1 8
42.94 20.62 2.1061 2 2 0 4
45.52 3.49 1.9926 0 4 0 2
45.90 71.44 1.9772 2 2 1 8
48.35 30.99 1.8824 0 4 1 4
48.51 18.95 1.8767 2 0 2 4
49.92 1.86 1.8268 2 1 2 8
50.28 29.73 1.8145 1 3 2 8
51.96 3.29 1.7600 1 4 1 8
52.54 31.05 1.7419 1 1 3 8
52.96 7.07 1.7290 2 3 1 8
53.10 14.13 1.7247 0 2 3 4
54.01 2.42 1.6979 2 2 2 8
56.20 2.76 1.6367 0 4 2 4
56.86 1.84 1.6194 3 1 0 4
59.29 6.30 1.5585 3 1 1 8
60.25 2.07 1.5360 0 5 1 4
61.87 6.31 1.4996 2 4 1 8
62.97 3.22 1.4762 3 2 1 8
63.39 7.23 1.4673 1 5 1 8
66.17 3.87 1.4122 0 1 4 4
66.27 3.03 1.4103 3 1 2 8
66.61 3.57 1.4041 3 3 0 4
68.71 3.79 1.3662 2 4 2 8
69.17 5.30 1.3582 1 1 4 8
69.65 2.04 1.3500 0 2 4 4
70.15 3.04 1.3416 1 5 2 8
70.95 1.88 1.3284 0 6 0 2
75.36 7.40 1.2612 3 3 2 8
76.73 3.04 1.2421 2 0 4 4
76.85 5.97 1.2404 4 0 0 2
77.17 9.55 1.2360 3 1 3 8
78.11 6.85 1.2235 1 3 4 8
78.77 1.82 1.2150 2 5 2 8
79.47 7.78 1.2060 2 4 3 8
79.51 3.09 1.2055 0 6 2 4
80.84 6.36 1.1890 1 5 3 8
82.31 1.05 1.1714 1 6 2 8
82.34 9.31 1.1711 2 6 0 4
83.31 3.60 1.1599 4 2 1 8
86.31 1.43 1.1271 4 1 2 8
86.47 3.89 1.1255 3 5 1 8
88.23 2.73 1.1075 1 1 5 8
88.68 1.11 1.1030 0 2 5 4
89.53 1.70 1.0948 4 2 2 8
================================================================================
XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.