Priceite
Wallwork K S, Pring A, Taylor M R, Hunter B A
The Canadian Mineralogist 40 (2002) 1199-1206
The structure of priceite, a basic hydrated calcium borate,
by ab initio powder-diffraction methods
_database_code_amcsd 0005789
CELL PARAMETERS: 11.6230 6.9760 12.3500 90.000 110.700 90.000
SPACE GROUP: P2_1/c
X-RAY WAVELENGTH: 1.541838
Cell Volume: 936.719
Density (g/cm3): 2.456
MAX. ABS. INTENSITY / VOLUME**2: 5.972870866
RIR: 0.792
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
8.13 100.00 10.8727 1 0 0 2
14.60 4.02 6.0664 -1 0 2 2
14.83 30.93 5.9717 0 1 1 4
15.09 5.92 5.8714 1 1 0 4
15.34 1.94 5.7764 0 0 2 2
15.57 3.95 5.6913 -1 1 1 4
16.31 18.68 5.4363 2 0 0 2
18.03 1.37 4.9210 -2 0 2 2
18.21 4.39 4.8720 1 1 1 4
19.39 1.51 4.5776 -1 1 2 4
19.79 9.70 4.4863 1 0 2 2
19.96 2.90 4.4491 0 1 2 4
19.98 6.35 4.4446 -2 1 1 4
20.71 20.03 4.2880 2 1 0 4
22.11 2.17 4.0212 -2 1 2 4
24.56 51.05 3.6242 3 0 0 2
25.54 57.92 3.4880 0 2 0 2
26.18 1.03 3.4037 2 0 2 2
26.33 5.25 3.3847 -3 1 1 4
26.44 1.16 3.3713 0 1 3 4
26.45 3.40 3.3701 -2 1 3 4
26.70 1.43 3.3391 0 2 1 4
26.84 1.93 3.3213 1 2 0 4
27.12 5.38 3.2876 -1 2 1 4
29.19 3.90 3.0590 2 1 2 4
29.54 3.33 3.0238 -1 2 2 4
30.08 5.19 2.9705 1 1 3 4
30.10 10.64 2.9688 -3 1 3 4
30.45 1.19 2.9357 2 2 0 4
30.96 13.39 2.8882 0 0 4 2
31.12 6.60 2.8741 3 1 1 4
31.44 4.95 2.8457 -2 2 2 4
32.18 25.38 2.7816 -2 1 4 4
32.95 19.11 2.7182 4 0 0 2
33.51 2.81 2.6738 3 0 2 2
33.58 10.12 2.6685 0 1 4 4
33.63 1.86 2.6646 -4 1 2 4
34.62 1.66 2.5912 -3 2 1 4
34.63 3.28 2.5904 -3 1 4 4
34.70 2.65 2.5852 0 2 3 4
34.71 2.26 2.5846 -2 2 3 4
35.28 3.16 2.5439 -3 2 2 4
35.43 2.27 2.5335 -4 1 3 4
35.73 6.97 2.5132 3 2 0 4
36.52 27.54 2.4605 -4 0 4 2
37.22 9.27 2.4154 1 1 4 4
37.63 5.85 2.3906 1 2 3 4
37.64 1.67 2.3897 -3 2 3 4
38.75 11.30 2.3239 -5 0 2 2
39.06 19.91 2.3062 -1 2 4 4
39.64 2.28 2.2739 1 3 0 4
40.20 4.54 2.2431 2 0 4 2
40.55 5.63 2.2246 0 2 4 4
40.60 1.47 2.2221 -4 2 1 4
40.93 3.27 2.2048 -5 1 2 4
41.02 4.24 2.2005 1 3 1 4
41.41 14.87 2.1804 4 0 2 2
41.45 2.27 2.1787 -3 2 4 4
41.52 1.03 2.1750 -5 1 1 4
41.53 1.87 2.1745 5 0 0 2
41.59 21.14 2.1713 -1 3 2 4
41.88 13.03 2.1571 0 3 2 4
42.15 1.15 2.1440 4 2 0 4
42.27 2.36 2.1380 2 3 0 4
42.32 1.24 2.1354 2 1 4 4
43.02 1.30 2.1024 -2 3 2 4
43.48 3.92 2.0811 4 1 2 4
43.70 2.26 2.0715 1 2 4 4
43.99 6.81 2.0583 -2 0 6 2
44.14 2.55 2.0518 2 3 1 4
44.32 3.33 2.0440 -5 1 4 4
44.76 2.38 2.0247 -1 3 3 4
44.82 8.02 2.0221 -3 0 6 2
45.11 2.28 2.0099 4 2 1 4
45.51 1.01 1.9933 -3 3 1 4
45.58 1.04 1.9903 -2 3 3 4
45.97 4.60 1.9742 -2 1 6 4
46.04 8.44 1.9715 -3 3 2 4
46.63 7.85 1.9479 3 0 4 2
46.76 3.89 1.9427 -1 1 6 4
46.77 2.51 1.9422 -3 1 6 4
46.95 3.30 1.9354 -6 0 2 2
46.98 9.26 1.9340 -5 2 2 4
47.01 1.45 1.9329 5 1 1 4
47.20 7.09 1.9255 0 0 6 2
47.51 1.79 1.9138 -5 2 1 4
47.95 1.59 1.8971 -3 3 3 4
48.65 3.06 1.8717 3 3 1 4
48.83 4.32 1.8650 -6 1 2 4
49.08 3.08 1.8561 0 1 6 4
49.14 1.48 1.8542 4 1 3 4
49.29 4.82 1.8489 4 2 2 4
49.38 4.63 1.8454 -2 3 4 4
49.75 1.80 1.8327 5 0 2 2
50.36 1.90 1.8121 6 0 0 2
50.38 4.97 1.8112 0 3 4 4
50.42 8.48 1.8100 -4 3 2 4
50.83 12.15 1.7964 -6 1 4 4
51.14 3.22 1.7862 -3 3 4 4
51.56 2.27 1.7727 -2 2 6 4
52.13 8.23 1.7546 3 3 2 4
52.29 3.03 1.7494 -3 2 6 4
52.47 1.17 1.7440 0 4 0 2
52.82 4.57 1.7331 -5 1 6 4
53.07 11.88 1.7257 1 3 4 4
53.73 1.04 1.7061 -6 1 5 4
53.91 1.84 1.7007 3 2 4 4
54.20 3.27 1.6923 -6 2 2 4
54.43 1.51 1.6857 0 2 6 4
54.48 1.13 1.6841 -1 3 5 4
55.43 1.18 1.6576 -3 3 5 4
55.59 6.13 1.6533 4 1 4 4
56.62 2.62 1.6255 1 4 2 4
57.29 1.37 1.6080 6 2 0 4
57.74 1.02 1.5968 -6 1 6 4
58.45 1.74 1.5789 -3 4 2 4
58.75 3.49 1.5715 3 4 0 4
60.15 2.66 1.5383 6 1 2 4
60.54 1.13 1.5295 4 2 4 4
60.68 1.15 1.5261 -1 3 6 4
61.74 1.17 1.5024 -5 3 5 4
62.84 1.15 1.4788 -3 4 4 4
64.13 3.19 1.4521 -6 3 4 4
66.48 1.52 1.4065 -2 2 8 4
68.30 3.46 1.3733 4 3 4 4
69.56 1.27 1.3514 2 5 0 4
69.60 5.68 1.3508 -5 2 8 4
70.00 1.87 1.3441 1 1 8 4
72.34 1.40 1.3063 -3 5 2 4
72.40 1.47 1.3052 6 3 2 4
73.72 1.06 1.2851 -3 3 8 4
74.96 2.65 1.2669 -9 1 4 4
77.87 1.82 1.2267 1 5 4 4
80.73 1.09 1.1904 9 1 0 4
83.28 1.71 1.1602 -8 2 8 4
83.91 1.61 1.1531 -2 4 8 4
86.82 1.37 1.1218 -5 4 8 4
87.39 1.03 1.1159 -6 5 4 4
88.24 1.74 1.1073 4 1 8 4
88.27 2.79 1.1071 3 6 0 4
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XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.