Legrandite
Hawthorne F C, Abdu Y A, Tait K T
The Canadian Mineralogist 51 (2013) 233-241
Hydrogen bonding in the crystal structure of legrandite: Zn2(AsO4)(OH)(H2O)
Locality: Tsumeb mine, Namibia
_database_code_amcsd 0020158
CELL PARAMETERS: 12.8052 7.9249 10.2173 90.000 104.433 90.000
SPACE GROUP: P2_1/c
X-RAY WAVELENGTH: 1.541838
Cell Volume: 1004.128
Density (g/cm3): 4.031
MAX. ABS. INTENSITY / VOLUME**2: 14.87616953
RIR: 1.202
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
7.13 28.75 12.4011 1 0 0 2
13.26 59.83 6.6778 1 1 0 4
14.98 78.67 5.9156 -1 1 1 4
16.99 1.15 5.2199 1 1 1 4
17.57 13.74 5.0487 -1 0 2 2
17.93 3.14 4.9474 0 0 2 2
18.17 7.47 4.8834 2 1 0 4
20.92 1.34 4.2454 1 0 2 2
21.17 68.07 4.1967 0 1 2 4
21.50 31.97 4.1337 3 0 0 2
21.82 100.00 4.0733 2 1 1 4
22.94 1.71 3.8767 -2 1 2 4
23.57 17.67 3.7745 1 2 0 4
23.78 3.20 3.7423 1 1 2 4
24.20 2.93 3.6785 0 2 1 4
24.28 1.70 3.6651 3 1 0 4
24.38 15.48 3.6514 -3 0 2 2
24.60 18.44 3.6192 -1 2 1 4
25.89 18.09 3.4407 1 2 1 4
26.88 1.51 3.3163 -3 1 2 4
27.01 19.54 3.3007 -2 2 1 4
27.76 3.73 3.2134 3 1 1 4
28.53 7.15 3.1287 -1 1 3 4
28.64 6.15 3.1171 -1 2 2 4
28.80 16.74 3.1003 4 0 0 2
28.87 72.83 3.0928 0 2 2 4
29.33 5.57 3.0451 0 1 3 4
29.36 8.82 3.0424 2 2 1 4
29.56 58.32 3.0223 -2 1 3 4
29.96 41.01 2.9828 -4 0 2 2
30.22 17.77 2.9578 -2 2 2 4
30.87 4.76 2.8968 1 2 2 4
30.97 3.51 2.8872 4 1 0 4
31.27 20.73 2.8605 3 2 0 4
31.83 1.80 2.8112 1 1 3 4
32.06 5.89 2.7916 -4 1 2 4
32.25 31.42 2.7756 -3 1 3 4
33.49 44.64 2.6757 3 1 2 4
34.10 43.75 2.6296 3 2 1 4
34.31 19.50 2.6133 4 1 1 4
34.36 27.74 2.6099 2 2 2 4
34.72 9.09 2.5837 1 3 0 4
34.74 11.92 2.5826 -1 2 3 4
35.16 13.08 2.5522 0 3 1 4
35.18 5.08 2.5510 -1 0 4 2
35.45 4.02 2.5322 -1 3 1 4
35.56 1.47 2.5243 -2 0 4 2
35.60 30.55 2.5218 -2 2 3 4
35.72 19.94 2.5139 2 1 3 4
36.22 8.21 2.4802 5 0 0 2
36.24 8.30 2.4785 -5 0 2 2
36.32 1.34 2.4737 0 0 4 2
36.81 11.34 2.4417 4 2 0 4
36.88 7.89 2.4369 -5 1 1 4
36.99 5.88 2.4303 2 3 0 4
37.02 9.65 2.4283 -1 1 4 4
37.22 5.53 2.4154 -2 3 1 4
37.43 6.55 2.4029 -3 0 4 2
37.89 10.80 2.3743 4 0 2 2
38.04 20.77 2.3655 -5 1 2 4
38.11 5.21 2.3613 0 1 4 4
38.46 7.27 2.3406 -1 3 2 4
38.64 3.94 2.3303 0 3 2 4
38.86 12.93 2.3176 1 0 4 2
39.02 3.08 2.3085 2 3 1 4
39.18 1.38 2.2995 -3 1 4 4
40.32 2.74 2.2369 -3 3 1 4
40.53 15.96 2.2259 3 3 0 4
40.59 5.30 2.2224 -4 0 4 2
40.64 2.01 2.2199 3 1 3 4
42.01 9.75 2.1509 -5 2 1 4
42.13 1.95 2.1449 -1 2 4 4
42.22 5.64 2.1403 -3 3 2 4
42.23 12.06 2.1399 -4 1 4 4
42.59 1.41 2.1227 2 0 4 2
43.11 2.55 2.0984 0 2 4 4
43.35 3.66 2.0872 -1 3 3 4
43.97 1.03 2.0591 -6 1 1 4
44.07 3.68 2.0546 -3 2 4 4
44.17 2.54 2.0504 2 1 4 4
44.48 1.96 2.0366 4 2 2 4
44.58 1.58 2.0323 -6 1 2 4
44.77 6.12 2.0243 5 0 2 2
44.84 3.51 2.0214 -5 0 4 2
45.09 8.02 2.0107 4 3 0 4
45.33 1.48 2.0006 1 2 4 4
45.41 1.92 1.9972 3 2 3 4
45.72 2.18 1.9845 1 3 3 4
45.89 1.47 1.9776 -4 3 2 4
45.98 6.87 1.9739 -2 1 5 4
46.03 1.33 1.9719 -3 3 3 4
46.36 1.72 1.9587 -5 1 4 4
46.41 3.26 1.9564 1 4 0 4
46.76 2.43 1.9427 0 4 1 4
46.99 1.98 1.9338 -1 4 1 4
47.12 2.13 1.9286 -3 1 5 4
47.35 1.42 1.9200 0 1 5 4
48.22 4.21 1.8872 2 4 0 4
48.41 4.01 1.8802 -2 4 1 4
48.48 6.18 1.8777 -6 2 1 4
48.57 4.31 1.8745 6 1 1 4
48.66 5.61 1.8712 2 3 3 4
48.66 1.50 1.8711 2 2 4 4
48.75 1.00 1.8679 3 1 4 4
49.05 2.70 1.8573 -6 2 2 4
49.10 3.74 1.8553 -4 3 3 4
49.68 4.33 1.8350 -1 3 4 4
49.76 2.69 1.8325 6 2 0 4
49.78 2.91 1.8316 1 1 5 4
50.18 1.37 1.8179 -7 0 2 2
50.43 4.15 1.8096 -2 4 2 4
50.47 9.05 1.8082 5 3 0 4
50.64 2.64 1.8027 5 2 2 4
50.70 2.60 1.8006 -5 2 4 4
50.95 1.26 1.7923 -3 4 1 4
51.36 1.62 1.7791 -6 1 4 4
51.41 1.62 1.7775 -3 3 4 4
51.41 6.74 1.7773 -6 2 3 4
51.77 1.06 1.7658 4 3 2 4
52.03 2.20 1.7576 6 0 2 2
52.53 2.35 1.7422 1 3 4 4
52.60 4.00 1.7400 3 3 3 4
52.69 1.38 1.7372 5 1 3 4
52.78 1.63 1.7343 4 0 4 2
52.95 1.74 1.7293 3 2 4 4
52.96 1.43 1.7289 7 1 0 4
53.16 6.97 1.7230 -5 3 3 4
53.25 1.05 1.7204 2 4 2 4
53.25 4.18 1.7203 2 1 5 4
53.51 2.30 1.7125 -1 4 3 4
53.52 2.54 1.7121 -7 1 3 4
53.91 13.52 1.7006 -4 3 4 4
53.92 2.47 1.7004 1 2 5 4
53.99 5.23 1.6984 0 4 3 4
54.13 1.11 1.6944 -2 4 3 4
54.13 1.88 1.6942 4 1 4 4
54.50 4.70 1.6837 -4 4 1 4
54.53 3.47 1.6829 -3 0 6 2
55.41 4.01 1.6582 -6 2 4 4
55.44 4.00 1.6573 -7 2 1 4
55.54 5.74 1.6547 2 3 4 4
55.55 16.56 1.6544 1 4 3 4
55.58 2.15 1.6535 -1 1 6 4
55.74 1.53 1.6491 0 0 6 2
55.79 3.86 1.6478 -7 0 4 2
55.82 1.04 1.6470 -3 4 3 4
55.89 6.32 1.6451 -6 3 2 4
56.28 1.74 1.6347 -4 0 6 2
56.54 1.35 1.6278 6 3 0 4
56.63 4.45 1.6254 3 4 2 4
56.68 2.32 1.6241 5 2 3 4
57.03 1.63 1.6148 -6 1 5 4
57.14 1.98 1.6120 -1 3 5 4
57.34 2.91 1.6068 5 3 2 4
57.47 2.83 1.6035 -7 2 3 4
57.57 15.15 1.6010 -4 1 6 4
57.62 1.20 1.5998 3 1 5 4
58.05 3.64 1.5888 4 2 4 4
58.13 1.60 1.5870 2 4 3 4
58.25 1.72 1.5838 0 3 5 4
58.94 3.30 1.5670 -5 4 1 4
59.00 1.90 1.5657 -8 1 2 4
59.03 4.05 1.5648 -5 0 6 2
59.14 2.99 1.5621 -8 1 1 4
59.32 4.00 1.5580 6 3 1 4
59.44 11.98 1.5551 -1 2 6 4
59.48 1.37 1.5542 3 3 4 4
59.51 2.36 1.5533 1 1 6 4
59.56 11.57 1.5522 6 1 3 4
59.65 7.27 1.5501 8 0 0 2
59.70 4.45 1.5490 -3 2 6 4
59.76 1.03 1.5475 -5 4 2 4
59.86 2.57 1.5452 1 5 1 4
60.02 3.37 1.5413 7 2 1 4
60.06 1.58 1.5404 -4 3 5 4
60.20 5.44 1.5373 5 1 4 4
60.38 4.57 1.5331 1 3 5 4
60.43 5.12 1.5318 -2 5 1 4
60.57 1.54 1.5286 -3 4 4 4
60.83 4.38 1.5228 -6 2 5 4
60.90 3.37 1.5213 8 1 0 4
61.30 2.90 1.5122 -1 5 2 4
61.65 8.06 1.5045 3 4 3 4
61.77 1.20 1.5019 -6 3 4 4
62.11 5.62 1.4945 -7 1 5 4
62.12 2.58 1.4943 5 4 1 4
62.15 1.16 1.4935 -5 4 3 4
62.25 1.01 1.4914 -8 0 4 2
62.55 2.71 1.4849 1 5 2 4
62.64 1.49 1.4831 -3 5 1 4
62.72 1.76 1.4813 -8 2 2 4
62.79 5.59 1.4799 3 5 0 4
63.20 3.63 1.4713 7 3 0 4
63.47 1.31 1.4657 -8 1 4 4
63.58 1.05 1.4633 6 3 2 4
63.70 3.76 1.4609 -7 3 3 4
63.88 3.06 1.4572 5 2 4 4
64.25 4.06 1.4498 4 3 4 4
64.57 2.22 1.4433 7 2 2 4
64.66 2.53 1.4416 2 5 2 4
65.29 1.95 1.4291 -3 1 7 4
65.65 3.59 1.4222 -9 0 2 2
65.65 7.21 1.4221 -1 1 7 4
65.73 6.68 1.4206 -2 4 5 4
65.79 1.56 1.4195 -1 4 5 4
66.02 2.47 1.4151 3 0 6 2
66.22 1.68 1.4112 4 5 0 4
66.39 1.00 1.4081 4 2 5 4
66.52 1.99 1.4056 2 2 6 4
66.63 7.73 1.4035 -6 4 3 4
66.64 1.48 1.4035 -3 4 5 4
66.71 1.47 1.4021 1 5 3 4
66.84 1.40 1.3998 -9 1 2 4
66.88 4.68 1.3989 0 3 6 4
67.37 1.30 1.3900 -4 3 6 4
67.49 2.03 1.3878 -6 2 6 4
67.91 2.81 1.3803 -9 1 3 4
68.49 3.21 1.3699 -4 4 5 4
68.52 1.71 1.3694 -2 2 7 4
68.67 6.77 1.3668 -8 3 2 4
69.40 1.21 1.3542 -4 5 3 4
70.10 3.97 1.3423 -2 5 4 4
70.37 1.25 1.3379 6 2 4 4
70.43 1.02 1.3368 7 2 3 4
70.45 1.25 1.3365 -9 1 4 4
70.51 2.10 1.3356 5 5 0 4
70.53 3.45 1.3353 -5 5 2 4
70.57 1.76 1.3345 0 5 4 4
71.13 1.36 1.3254 4 0 6 2
71.20 1.20 1.3243 5 4 3 4
71.38 1.39 1.3215 -9 2 3 4
71.90 1.18 1.3131 -7 4 3 4
72.19 1.71 1.3086 4 3 5 4
72.23 1.19 1.3080 -5 2 7 4
72.27 1.09 1.3074 3 5 3 4
72.27 4.61 1.3073 4 1 6 4
72.31 1.52 1.3067 8 2 2 4
72.32 1.61 1.3065 -1 6 1 4
72.65 3.84 1.3015 9 2 0 4
72.74 1.01 1.3001 -5 5 3 4
73.28 1.56 1.2918 2 6 0 4
73.37 1.16 1.2904 -4 5 4 4
73.49 2.33 1.2887 8 3 1 4
74.16 1.83 1.2786 7 1 4 4
74.19 1.96 1.2782 7 4 1 4
74.33 1.69 1.2761 0 6 2 4
74.54 1.08 1.2731 -3 3 7 4
75.02 1.11 1.2661 -2 6 2 4
75.29 4.28 1.2622 -1 0 8 2
75.66 1.07 1.2570 4 2 6 4
76.00 1.17 1.2522 -9 3 2 4
77.15 2.41 1.2364 3 6 1 4
77.57 2.20 1.2307 3 1 7 4
78.03 2.15 1.2247 -2 6 3 4
78.22 1.24 1.2221 0 1 8 4
79.22 2.73 1.2091 -10 2 3 4
80.22 1.22 1.1965 -7 5 1 4
80.38 1.19 1.1947 -7 5 2 4
80.99 1.09 1.1871 8 0 4 2
81.50 1.52 1.1810 10 1 1 4
81.53 1.49 1.1806 -5 2 8 4
81.94 1.05 1.1758 -7 5 3 4
82.09 1.27 1.1740 8 1 4 4
82.55 1.83 1.1687 -8 3 6 4
83.00 2.41 1.1635 -9 2 6 4
84.49 1.09 1.1466 -11 1 3 4
84.85 1.77 1.1428 0 5 6 4
84.89 2.10 1.1423 -7 5 4 4
85.30 1.10 1.1379 -4 5 6 4
86.87 2.19 1.1212 5 3 6 4
87.55 2.84 1.1144 5 5 4 4
88.16 1.60 1.1082 8 5 0 4
88.46 1.71 1.1052 -6 4 7 4
88.75 1.32 1.1023 -5 1 9 4
88.94 1.03 1.1005 -8 1 8 4
88.96 1.33 1.1002 -6 6 3 4
89.62 1.28 1.0939 1 7 2 4
89.78 2.93 1.0923 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.