Legrandite
Jinnouchi S, Yoshiasa A, Sugiyama K, Shimura R, Arima H, Momma H, Miyawaki R
Journal of Mineralogical and Petrological Sciences 111 (2016) 35-43
Crystal structure refinements of legrandite, adamite, and paradamite:
The complex structure and characteristic hydrogen bonding network of legrandite
Locality: Ojuela Mine, Mapimi, Durango, Mexico
_database_code_amcsd 0020671
CELL PARAMETERS: 12.8014 7.9390 10.2262 90.000 104.490 90.000
SPACE GROUP: P2_1/c
X-RAY WAVELENGTH: 1.541838
Cell Volume: 1006.233
Density (g/cm3): 4.023
MAX. ABS. INTENSITY / VOLUME**2: 14.87755149
RIR: 1.204
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
7.13 28.55 12.3942 1 0 0 2
13.24 59.59 6.6851 1 1 0 4
14.96 78.30 5.9236 -1 1 1 4
16.98 1.09 5.2232 1 1 1 4
17.55 13.89 5.0534 -1 0 2 2
17.92 2.87 4.9505 0 0 2 2
18.16 7.31 4.8850 2 1 0 4
20.92 1.34 4.2459 1 0 2 2
21.15 68.42 4.2007 0 1 2 4
21.51 32.04 4.1314 3 0 0 2
21.82 100.00 4.0736 2 1 1 4
22.92 1.63 3.8808 -2 1 2 4
23.53 17.80 3.7804 1 2 0 4
23.76 3.14 3.7441 1 1 2 4
24.16 2.90 3.6844 0 2 1 4
24.29 1.74 3.6649 3 1 0 4
24.36 15.59 3.6533 -3 0 2 2
24.56 18.45 3.6251 -1 2 1 4
25.86 18.29 3.4451 1 2 1 4
26.86 1.49 3.3188 -3 1 2 4
26.98 19.28 3.3050 -2 2 1 4
27.77 3.60 3.2127 3 1 1 4
28.50 7.14 3.1319 -1 1 3 4
28.60 6.19 3.1216 -1 2 2 4
28.81 16.99 3.0986 4 0 0 2
28.83 73.53 3.0969 0 2 2 4
29.31 5.57 3.0475 0 1 3 4
29.33 9.18 3.0449 2 2 1 4
29.52 57.98 3.0255 -2 1 3 4
29.95 40.92 2.9836 -4 0 2 2
30.17 17.66 2.9618 -2 2 2 4
30.84 4.84 2.8997 1 2 2 4
30.98 3.59 2.8865 4 1 0 4
31.25 20.35 2.8624 3 2 0 4
31.82 1.80 2.8125 1 1 3 4
32.05 5.97 2.7929 -4 1 2 4
32.22 31.62 2.7782 -3 1 3 4
33.50 44.50 2.6752 3 1 2 4
34.08 43.31 2.6308 3 2 1 4
34.33 19.53 2.6123 4 1 1 4
34.34 28.41 2.6116 2 2 2 4
34.66 9.07 2.5880 1 3 0 4
34.69 11.80 2.5859 -1 2 3 4
35.10 12.85 2.5566 0 3 1 4
35.15 5.30 2.5531 -1 0 4 2
35.39 3.99 2.5365 -1 3 1 4
35.53 1.47 2.5267 -2 0 4 2
35.55 30.67 2.5250 -2 2 3 4
35.71 19.53 2.5143 2 1 3 4
36.24 7.78 2.4788 5 0 0 2
36.24 8.16 2.4787 -5 0 2 2
36.29 1.31 2.4752 0 0 4 2
36.80 11.34 2.4425 4 2 0 4
36.89 7.92 2.4367 -5 1 1 4
36.93 5.76 2.4337 2 3 0 4
36.99 9.42 2.4305 -1 1 4 4
37.17 5.61 2.4191 -2 3 1 4
37.39 6.62 2.4051 -3 0 4 2
37.92 10.91 2.3730 4 0 2 2
38.03 20.60 2.3660 -5 1 2 4
38.08 5.12 2.3630 0 1 4 4
38.40 7.07 2.3443 -1 3 2 4
38.58 3.92 2.3338 0 3 2 4
38.84 12.98 2.3184 1 0 4 2
38.97 3.19 2.3113 2 3 1 4
39.13 1.38 2.3018 -3 1 4 4
40.27 2.76 2.2397 -3 3 1 4
40.48 15.91 2.2284 3 3 0 4
40.54 1.03 2.2255 1 1 4 4
40.56 5.22 2.2243 -4 0 4 2
40.65 2.02 2.2197 3 1 3 4
41.99 9.84 2.1516 -5 2 1 4
42.08 1.95 2.1473 -1 2 4 4
42.17 5.65 2.1431 -3 3 2 4
42.19 12.26 2.1418 -4 1 4 4
42.59 1.35 2.1230 2 0 4 2
43.07 2.51 2.1003 0 2 4 4
43.29 3.62 2.0902 -1 3 3 4
43.98 1.00 2.0587 -6 1 1 4
44.02 3.68 2.0570 -3 2 4 4
44.16 2.51 2.0509 2 1 4 4
44.48 1.95 2.0368 4 2 2 4
44.58 1.60 2.0324 -6 1 2 4
44.80 6.10 2.0231 5 0 2 2
44.81 3.50 2.0228 -5 0 4 2
45.05 8.08 2.0123 4 3 0 4
45.30 1.51 2.0020 1 2 4 4
45.40 1.95 1.9977 3 2 3 4
45.66 2.22 1.9867 1 3 3 4
45.83 1.47 1.9798 -4 3 2 4
45.93 6.91 1.9758 -2 1 5 4
45.96 1.35 1.9745 -3 3 3 4
46.32 1.72 1.9601 -5 1 4 4
46.33 3.23 1.9598 1 4 0 4
46.68 2.45 1.9460 0 4 1 4
46.90 1.97 1.9371 -1 4 1 4
47.07 2.13 1.9305 -3 1 5 4
47.31 1.41 1.9213 0 1 5 4
48.14 4.25 1.8902 2 4 0 4
48.33 4.07 1.8833 -2 4 1 4
48.47 6.21 1.8780 -6 2 1 4
48.60 4.26 1.8735 6 1 1 4
48.62 5.67 1.8728 2 3 3 4
48.64 1.54 1.8720 2 2 4 4
49.03 2.74 1.8580 -6 2 2 4
49.04 3.74 1.8575 -4 3 3 4
49.62 4.29 1.8374 -1 3 4 4
49.76 2.96 1.8325 1 1 5 4
49.76 2.75 1.8324 6 2 0 4
50.19 1.37 1.8176 -7 0 2 2
50.34 4.13 1.8125 -2 4 2 4
50.44 9.07 1.8091 5 3 0 4
50.64 2.56 1.8025 5 2 2 4
50.65 2.54 1.8023 -5 2 4 4
50.78 1.01 1.7980 1 4 2 4
50.87 1.26 1.7949 -3 4 1 4
51.32 1.61 1.7801 -6 1 4 4
51.33 1.61 1.7799 -3 3 4 4
51.38 6.67 1.7783 -6 2 3 4
51.74 1.07 1.7667 4 3 2 4
52.06 2.15 1.7566 6 0 2 2
52.47 2.31 1.7439 1 3 4 4
52.56 4.03 1.7411 3 3 3 4
52.71 1.37 1.7366 5 1 3 4
52.80 1.71 1.7339 4 0 4 2
52.93 1.77 1.7298 3 2 4 4
52.99 1.43 1.7281 7 1 0 4
53.10 6.95 1.7247 -5 3 3 4
53.17 1.05 1.7226 2 4 2 4
53.23 4.13 1.7208 2 1 5 4
53.42 2.35 1.7151 -1 4 3 4
53.51 2.51 1.7124 -7 1 3 4
53.84 13.63 1.7027 -4 3 4 4
53.88 2.49 1.7015 1 2 5 4
53.90 5.21 1.7009 0 4 3 4
54.04 1.06 1.6970 -2 4 3 4
54.14 1.83 1.6940 4 1 4 4
54.43 4.75 1.6857 -4 4 1 4
54.47 3.50 1.6845 -3 0 6 2
55.37 3.99 1.6594 -6 2 4 4
55.44 4.04 1.6573 -7 2 1 4
55.47 16.69 1.6566 1 4 3 4
55.49 5.72 1.6559 2 3 4 4
55.53 2.16 1.6549 -1 1 6 4
55.70 1.52 1.6502 0 0 6 2
55.73 1.04 1.6495 -3 4 3 4
55.77 3.91 1.6484 -7 0 4 2
55.85 6.34 1.6462 -6 3 2 4
56.22 1.77 1.6362 -4 0 6 2
56.52 1.35 1.6283 6 3 0 4
56.56 4.42 1.6271 3 4 2 4
56.68 2.29 1.6240 5 2 3 4
56.98 1.64 1.6160 -6 1 5 4
57.07 1.96 1.6139 -1 3 5 4
57.33 2.89 1.6072 5 3 2 4
57.45 2.81 1.6041 -7 2 3 4
57.51 15.26 1.6025 -4 1 6 4
57.61 1.23 1.5999 3 1 5 4
58.05 3.61 1.5889 4 2 4 4
58.06 1.66 1.5888 2 4 3 4
58.19 1.73 1.5855 0 3 5 4
58.87 3.25 1.5686 -5 4 1 4
58.97 4.01 1.5662 -5 0 6 2
59.00 1.91 1.5655 -8 1 2 4
59.16 2.93 1.5616 -8 1 1 4
59.30 4.00 1.5583 6 3 1 4
59.38 12.11 1.5565 -1 2 6 4
59.44 1.40 1.5550 3 3 4 4
59.48 2.37 1.5540 1 1 6 4
59.59 11.68 1.5515 6 1 3 4
59.62 4.43 1.5506 -3 2 6 4
59.68 7.29 1.5493 8 0 0 2
59.68 1.06 1.5493 -5 4 2 4
59.75 2.60 1.5478 1 5 1 4
59.98 1.55 1.5423 -4 3 5 4
60.04 3.34 1.5409 7 2 1 4
60.21 5.46 1.5368 5 1 4 4
60.32 4.63 1.5344 1 3 5 4
60.32 5.25 1.5344 -2 5 1 4
60.48 1.57 1.5308 -3 4 4 4
60.77 4.43 1.5241 -6 2 5 4
60.93 3.38 1.5206 8 1 0 4
61.19 2.91 1.5148 -1 5 2 4
61.58 8.00 1.5059 3 4 3 4
61.70 1.21 1.5033 -6 3 4 4
62.06 5.59 1.4955 -7 1 5 4
62.07 2.66 1.4954 5 4 1 4
62.07 1.13 1.4953 -5 4 3 4
62.45 2.71 1.4872 1 5 2 4
62.53 1.47 1.4854 -3 5 1 4
62.68 5.64 1.4821 3 5 0 4
62.72 1.77 1.4815 -8 2 2 4
63.18 3.65 1.4716 7 3 0 4
63.45 1.30 1.4661 -8 1 4 4
63.57 1.05 1.4635 6 3 2 4
63.65 3.80 1.4619 -7 3 3 4
63.89 3.07 1.4571 5 2 4 4
64.22 4.08 1.4503 4 3 4 4
64.55 2.54 1.4437 2 5 2 4
64.59 2.18 1.4429 7 2 2 4
65.22 1.95 1.4305 -3 1 7 4
65.59 7.17 1.4232 -1 1 7 4
65.63 6.73 1.4226 -2 4 5 4
65.67 3.57 1.4218 -9 0 2 2
65.69 1.51 1.4213 -1 4 5 4
66.01 2.51 1.4153 3 0 6 2
66.13 1.67 1.4131 4 5 0 4
66.49 1.99 1.4062 2 2 6 4
66.53 1.49 1.4054 -3 4 5 4
66.56 7.81 1.4050 -6 4 3 4
66.60 1.46 1.4041 1 5 3 4
66.81 4.69 1.4002 0 3 6 4
66.85 1.41 1.3995 -9 1 2 4
67.28 1.28 1.3917 -4 3 6 4
67.42 1.99 1.3891 -6 2 6 4
67.91 2.81 1.3803 -9 1 3 4
68.39 3.19 1.3717 -4 4 5 4
68.45 1.71 1.3707 -2 2 7 4
68.65 6.69 1.3672 -8 3 2 4
69.28 1.20 1.3562 -4 5 3 4
69.98 3.99 1.3444 -2 5 4 4
70.39 1.22 1.3376 6 2 4 4
70.42 2.12 1.3370 5 5 0 4
70.42 3.44 1.3370 -5 5 2 4
70.43 1.24 1.3368 -9 1 4 4
70.46 1.74 1.3365 0 5 4 4
71.13 1.33 1.3254 4 0 6 2
71.16 1.20 1.3250 5 4 3 4
71.36 1.38 1.3217 -9 2 3 4
71.83 1.20 1.3142 -7 4 3 4
72.14 1.18 1.3093 -5 2 7 4
72.16 1.71 1.3091 4 3 5 4
72.17 1.11 1.3088 3 5 3 4
72.18 1.66 1.3088 -1 6 1 4
72.27 4.60 1.3073 4 1 6 4
72.34 1.52 1.3062 8 2 2 4
72.62 1.01 1.3019 -5 5 3 4
72.67 3.83 1.3011 9 2 0 4
73.13 1.54 1.2940 2 6 0 4
73.25 1.17 1.2923 -4 5 4 4
73.49 2.32 1.2886 8 3 1 4
74.15 1.94 1.2787 7 4 1 4
74.18 1.69 1.2783 0 6 2 4
74.20 1.80 1.2780 7 1 4 4
74.44 1.09 1.2745 -3 3 7 4
74.87 1.14 1.2683 -2 6 2 4
75.23 4.27 1.2631 -1 0 8 2
75.65 1.05 1.2572 4 2 6 4
75.98 1.18 1.2525 -9 3 2 4
77.01 2.39 1.2383 3 6 1 4
77.55 2.21 1.2310 3 1 7 4
77.87 2.20 1.2267 -2 6 3 4
78.16 1.26 1.2228 0 1 8 4
79.22 2.76 1.2092 -10 2 3 4
80.14 1.21 1.1976 -7 5 1 4
80.29 1.20 1.1958 -7 5 2 4
81.04 1.09 1.1865 8 0 4 2
81.43 1.49 1.1818 -5 2 8 4
81.56 1.53 1.1803 10 1 1 4
81.83 1.05 1.1770 -7 5 3 4
82.14 1.27 1.1735 8 1 4 4
82.46 1.84 1.1697 -8 3 6 4
82.93 2.41 1.1642 -9 2 6 4
84.51 1.08 1.1465 -11 1 3 4
84.72 1.77 1.1442 0 5 6 4
84.77 2.08 1.1436 -7 5 4 4
85.15 1.11 1.1395 -4 5 6 4
86.85 2.18 1.1215 5 3 6 4
87.47 2.83 1.1151 5 5 4 4
88.09 1.58 1.1089 8 5 0 4
88.33 1.71 1.1065 -6 4 7 4
88.64 1.32 1.1034 -5 1 9 4
88.82 1.33 1.1017 -6 6 3 4
88.85 1.03 1.1014 -8 1 8 4
89.43 1.29 1.0957 1 7 2 4
89.70 2.95 1.0931 2 4 7 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.