Newberyite
Sutor D J
Acta Crystallographica 23 (1967) 418-422
The crystal and molecular structure of newberyite, MgHPO4*3H2O
Locality: Skipton Caves, Victoria, Australia
_database_code_amcsd 0009313
CELL PARAMETERS: 10.2150 10.6810 10.0140 90.000 90.000 90.000
SPACE GROUP: Pbca
X-RAY WAVELENGTH: 1.541838
Cell Volume: 1092.592
Density (g/cm3): 2.186
MAX. ABS. INTENSITY / VOLUME**2: 3.901267370
RIR: 0.581
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
14.91 58.13 5.9422 1 1 1 8
16.60 54.30 5.3405 0 2 0 2
17.36 1.26 5.1075 2 0 0 2
18.83 69.23 4.7123 0 2 1 4
19.26 23.20 4.6078 2 1 0 4
19.75 32.12 4.4960 1 0 2 4
21.44 31.65 4.1438 1 1 2 8
24.11 10.42 3.6912 2 2 0 4
24.37 17.37 3.6527 0 2 2 4
24.90 12.15 3.5755 2 0 2 4
25.72 100.00 3.4634 2 2 1 8
25.90 11.80 3.4394 1 2 2 8
26.28 1.37 3.3906 2 1 2 8
28.00 10.92 3.1872 1 3 1 8
28.93 79.49 3.0862 3 1 1 8
29.37 77.95 3.0415 1 1 3 8
30.08 5.59 2.9711 2 2 2 8
31.61 2.57 2.8306 0 2 3 4
31.78 24.16 2.8156 3 0 2 4
31.92 4.48 2.8039 2 3 1 8
32.07 32.05 2.7912 1 3 2 8
32.83 2.27 2.7278 1 2 3 8
32.90 40.83 2.7226 3 1 2 8
33.14 12.94 2.7032 2 1 3 8
33.56 7.83 2.6702 0 4 0 2
34.77 50.33 2.5801 0 4 1 4
35.14 2.87 2.5538 4 0 0 2
35.59 19.36 2.5229 2 3 2 8
35.90 10.39 2.5015 1 4 1 8
36.16 5.58 2.4837 4 1 0 4
36.29 1.22 2.4758 2 2 3 8
36.97 18.12 2.4315 1 0 4 4
37.30 12.87 2.4107 4 1 1 8
37.64 21.64 2.3897 3 3 1 8
37.95 13.41 2.3709 1 1 4 8
37.99 1.30 2.3688 1 3 3 8
38.03 5.51 2.3664 2 4 0 4
39.10 2.99 2.3039 4 2 0 4
39.12 1.26 2.3029 2 4 1 8
39.24 1.70 2.2959 1 4 2 8
39.62 8.05 2.2749 4 0 2 4
40.16 2.02 2.2452 4 2 1 8
40.77 3.02 2.2130 1 2 4 8
40.86 5.63 2.2085 3 3 2 8
41.03 7.94 2.1998 2 1 4 8
41.06 8.38 2.1981 2 3 3 8
41.49 10.20 2.1767 3 2 3 8
42.24 7.54 2.1395 2 4 2 8
43.23 11.35 2.0930 4 2 2 8
43.69 7.78 2.0719 2 2 4 8
44.03 5.71 2.0564 3 4 1 8
44.34 22.65 2.0430 1 4 3 8
44.59 2.65 2.0320 4 3 1 8
45.78 6.80 1.9820 3 1 4 8
45.81 3.99 1.9807 3 3 3 8
46.06 3.91 1.9708 2 5 0 4
46.14 1.20 1.9675 5 1 1 8
46.99 1.79 1.9337 2 5 1 8
47.01 3.32 1.9329 1 1 5 8
47.10 15.13 1.9295 1 5 2 8
47.85 2.04 1.9008 2 3 4 8
47.98 5.04 1.8961 4 2 3 8
48.23 10.15 1.8869 3 2 4 8
48.55 2.37 1.8753 0 2 5 4
48.57 10.73 1.8744 5 2 1 8
48.90 1.29 1.8626 5 1 2 8
49.63 1.57 1.8368 2 1 5 8
50.78 17.57 1.7978 1 4 4 8
51.09 5.36 1.7877 4 0 4 4
51.58 1.23 1.7720 1 5 3 8
51.85 4.86 1.7632 4 1 4 8
51.94 5.79 1.7604 2 2 5 8
52.12 12.07 1.7549 3 3 4 8
52.87 3.35 1.7317 4 4 2 8
53.26 3.22 1.7198 5 1 3 8
53.27 5.07 1.7197 2 4 4 8
53.79 1.56 1.7042 3 1 5 8
53.85 2.38 1.7025 6 0 0 2
54.04 1.35 1.6971 2 5 3 8
54.58 5.03 1.6813 6 1 0 4
54.59 13.22 1.6810 2 6 0 4
54.97 8.13 1.6705 5 3 2 8
55.02 1.50 1.6690 0 0 6 2
55.41 3.60 1.6581 6 1 1 8
55.42 4.25 1.6578 2 6 1 8
55.52 5.85 1.6551 1 6 2 8
55.98 1.32 1.6426 3 2 5 8
56.13 9.19 1.6385 4 5 0 4
56.95 1.88 1.6170 4 5 1 8
57.15 2.75 1.6119 6 0 2 4
57.42 3.36 1.6048 1 5 4 8
57.52 1.43 1.6022 0 4 5 4
57.54 1.47 1.6017 5 4 1 8
57.56 7.46 1.6012 6 2 1 8
57.70 3.58 1.5976 4 3 4 8
57.89 6.29 1.5930 0 2 6 4
58.15 6.45 1.5864 2 0 6 4
58.29 3.10 1.5828 5 0 4 4
58.99 8.60 1.5657 5 1 4 8
59.02 1.32 1.5651 5 3 3 8
59.35 2.27 1.5573 4 5 2 8
59.71 1.01 1.5485 2 5 4 8
60.25 1.87 1.5359 6 3 0 4
60.92 2.11 1.5208 2 2 6 8
61.64 2.79 1.5047 3 6 2 8
61.79 1.48 1.5014 2 6 3 8
62.21 6.66 1.4923 1 7 1 8
63.34 2.06 1.4684 6 3 2 8
63.65 2.67 1.4620 2 7 0 4
63.71 1.14 1.4607 5 5 1 8
64.25 1.39 1.4497 3 4 5 8
64.28 1.30 1.4491 2 3 6 8
64.42 1.01 1.4464 1 5 5 8
64.48 2.88 1.4451 4 6 1 8
64.68 1.46 1.4411 4 3 5 8
65.96 5.26 1.4162 5 5 2 8
66.01 7.57 1.4153 0 4 6 4
66.41 1.93 1.4078 6 0 4 4
66.59 2.47 1.4044 1 1 7 8
66.64 1.74 1.4034 2 7 2 8
66.72 1.08 1.4020 4 6 2 8
66.77 1.88 1.4010 7 0 2 4
66.98 1.76 1.3971 4 0 6 4
67.06 1.25 1.3957 6 1 4 8
67.42 5.89 1.3891 7 1 2 8
67.63 1.27 1.3853 4 1 6 8
67.84 4.52 1.3815 5 2 5 8
67.85 1.88 1.3813 3 3 6 8
68.20 2.52 1.3751 1 7 3 8
69.22 2.00 1.3572 4 4 5 8
70.15 1.09 1.3415 3 7 2 8
70.61 1.55 1.3339 2 2 7 8
70.82 4.73 1.3305 0 6 5 4
70.84 1.69 1.3302 5 6 1 8
71.05 4.32 1.3267 7 1 3 8
71.55 3.12 1.3188 6 4 3 8
71.70 4.56 1.3164 1 3 7 8
72.11 2.79 1.3099 4 7 0 4
72.98 2.08 1.2964 5 6 2 8
73.23 1.23 1.2925 5 0 6 4
73.56 1.67 1.2876 2 6 5 8
73.72 1.79 1.2851 3 7 3 8
73.75 1.52 1.2847 2 3 7 8
74.07 1.24 1.2799 1 8 2 8
74.74 1.66 1.2702 7 4 1 8
74.94 1.93 1.2672 4 7 2 8
75.37 1.23 1.2610 0 4 7 4
75.41 3.46 1.2605 6 2 5 8
76.03 3.80 1.2517 7 3 3 8
76.70 1.15 1.2425 1 0 8 4
76.75 1.03 1.2419 8 2 0 4
77.04 1.09 1.2379 4 4 6 8
77.08 1.30 1.2373 8 0 2 4
77.32 3.62 1.2341 1 1 8 8
77.58 2.18 1.2306 1 8 3 8
78.29 1.89 1.2212 6 6 1 8
78.57 1.08 1.2176 0 6 6 4
78.62 1.03 1.2169 3 7 4 8
78.71 1.35 1.2158 2 0 8 4
79.31 1.07 1.2080 2 1 8 8
79.79 1.68 1.2019 8 3 0 4
81.32 1.82 1.1832 4 8 0 4
81.34 1.26 1.1829 5 6 4 8
81.75 1.95 1.1781 0 8 4 4
82.41 2.58 1.1703 1 8 4 8
84.02 2.58 1.1519 8 4 0 4
84.38 1.03 1.1480 5 7 3 8
89.65 1.04 1.0936 3 9 2 8
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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.