Newberyite
Bartl H, Catti M, Joswig W, Ferraris G
Tschermaks Mineralogische und Petrographische Mitteilungen 32 (1983) 187-194
Investigation of the crystal structure of newberyite, MgHPO4*3H2O, by single
crystal neutron diffraction
Locality: synthetic
_database_code_amcsd 0015697
CELL PARAMETERS: 10.2030 10.6780 10.0150 90.000 90.000 90.000
SPACE GROUP: Pbca
X-RAY WAVELENGTH: 1.541838
Cell Volume: 1091.111
Density (g/cm3): 2.122
MAX. ABS. INTENSITY / VOLUME**2: 3.213597597
RIR: 0.493
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
14.92 97.26 5.9395 1 1 1 8
16.60 57.52 5.3390 0 2 0 2
17.38 7.46 5.1015 2 0 0 2
18.84 92.37 4.7113 0 2 1 4
19.28 26.18 4.6031 2 1 0 4
19.75 34.92 4.4953 1 0 2 4
21.45 35.72 4.1431 1 1 2 8
24.13 11.64 3.6884 2 2 0 4
24.37 18.25 3.6524 0 2 2 4
24.92 12.41 3.5736 2 0 2 4
25.74 100.00 3.4611 2 2 1 8
25.91 16.75 3.4387 1 2 2 8
26.30 2.39 3.3889 2 1 2 8
28.00 17.18 3.1861 1 3 1 8
28.96 83.96 3.0832 3 1 1 8
29.37 87.02 3.0414 1 1 3 8
30.09 4.12 2.9698 2 2 2 8
31.61 1.82 2.8306 0 2 3 4
31.81 24.40 2.8134 3 0 2 4
31.93 4.59 2.8025 2 3 1 8
32.07 34.24 2.7905 1 3 2 8
32.92 43.54 2.7206 3 1 2 8
33.15 12.09 2.7025 2 1 3 8
33.57 5.34 2.6695 0 4 0 2
34.78 55.55 2.5794 0 4 1 4
35.18 3.53 2.5508 4 0 0 2
35.60 16.25 2.5219 2 3 2 8
35.91 7.58 2.5008 1 4 1 8
36.21 4.68 2.4809 4 1 0 4
36.97 10.83 2.4316 1 0 4 4
37.34 15.63 2.4082 4 1 1 8
37.67 17.56 2.3880 3 3 1 8
37.95 15.45 2.3709 1 1 4 8
38.04 9.71 2.3652 2 4 0 4
38.73 1.18 2.3252 3 1 3 8
39.14 2.87 2.3016 4 2 0 4
39.25 3.05 2.2953 1 4 2 8
39.65 4.11 2.2729 4 0 2 4
40.58 1.99 2.2231 4 1 2 8
40.78 4.11 2.2129 1 2 4 8
40.89 6.13 2.2072 3 3 2 8
41.04 8.14 2.1994 2 1 4 8
41.08 6.60 2.1975 2 3 3 8
41.51 11.08 2.1756 3 2 3 8
42.26 7.84 2.1387 2 4 2 8
43.26 11.57 2.0913 4 2 2 8
43.70 10.46 2.0716 2 2 4 8
44.06 5.11 2.0552 3 4 1 8
44.35 16.08 2.0427 1 4 3 8
44.63 2.60 2.0303 4 3 1 8
45.80 5.92 1.9813 3 1 4 8
45.83 2.39 1.9798 3 3 3 8
46.08 3.15 1.9700 2 5 0 4
46.19 1.69 1.9654 5 1 1 8
46.92 2.07 1.9365 3 4 2 8
47.01 4.08 1.9330 1 1 5 8
47.01 2.11 1.9329 2 5 1 8
47.11 21.39 1.9290 1 5 2 8
47.86 1.08 1.9004 2 3 4 8
48.01 4.48 1.8949 4 2 3 8
48.25 12.12 1.8863 3 2 4 8
48.54 3.16 1.8754 0 2 5 4
48.62 11.06 1.8725 5 2 1 8
48.95 1.33 1.8608 5 1 2 8
50.79 15.89 1.7976 1 4 4 8
51.12 5.78 1.7868 4 0 4 4
51.59 1.05 1.7717 1 5 3 8
51.88 6.30 1.7623 4 1 4 8
51.95 5.17 1.7602 2 2 5 8
52.14 10.89 1.7544 3 3 4 8
52.91 2.02 1.7306 4 4 2 8
53.28 5.84 1.7194 2 4 4 8
53.31 4.39 1.7184 5 1 3 8
53.80 1.41 1.7038 3 1 5 8
53.92 2.62 1.7005 6 0 0 2
54.05 1.45 1.6966 2 5 3 8
54.62 13.48 1.6804 2 6 0 4
54.65 7.01 1.6793 6 1 0 4
55.01 1.68 1.6692 0 0 6 2
55.02 9.05 1.6691 5 3 2 8
55.45 4.94 1.6572 2 6 1 8
55.48 3.97 1.6562 6 1 1 8
55.54 5.03 1.6547 1 6 2 8
55.65 1.14 1.6516 2 3 5 8
56.17 10.53 1.6375 4 5 0 4
56.99 2.28 1.6160 4 5 1 8
57.21 1.31 1.6102 6 0 2 4
57.43 3.24 1.6046 1 5 4 8
57.63 5.94 1.5995 6 2 1 8
57.73 3.51 1.5969 4 3 4 8
57.88 6.38 1.5931 0 2 6 4
57.92 1.03 1.5922 6 1 2 8
58.15 8.37 1.5864 2 0 6 4
58.34 2.94 1.5818 5 0 4 4
58.85 1.93 1.5692 2 1 6 8
59.04 8.64 1.5647 5 1 4 8
59.06 1.16 1.5640 5 3 3 8
59.38 2.41 1.5564 4 5 2 8
59.73 1.62 1.5482 2 5 4 8
60.32 1.65 1.5344 6 3 0 4
60.92 1.97 1.5207 2 2 6 8
61.67 2.25 1.5040 3 6 2 8
61.81 1.55 1.5009 2 6 3 8
62.23 7.07 1.4918 1 7 1 8
63.40 1.87 1.4671 6 3 2 8
63.45 1.58 1.4661 3 5 4 8
63.67 2.02 1.4615 2 7 0 4
64.29 1.64 1.4490 2 3 6 8
64.52 3.41 1.4443 4 6 1 8
64.71 1.15 1.4406 4 3 5 8
65.03 1.13 1.4342 6 4 0 4
66.01 8.42 1.4153 0 4 6 4
66.01 6.67 1.4152 5 5 2 8
66.46 2.88 1.4067 6 0 4 4
66.58 2.91 1.4045 1 1 7 8
66.66 1.05 1.4030 2 7 2 8
66.85 1.58 1.3995 7 0 2 4
67.00 1.62 1.3967 4 0 6 4
67.11 1.26 1.3947 6 1 4 8
67.50 7.52 1.3876 7 1 2 8
67.65 2.07 1.3849 4 1 6 8
67.87 1.29 1.3810 3 3 6 8
67.88 3.58 1.3808 5 2 5 8
68.22 3.57 1.3748 1 7 3 8
69.04 1.11 1.3603 6 2 4 8
69.25 1.36 1.3567 4 4 5 8
70.18 1.94 1.3410 3 7 2 8
70.61 1.37 1.3339 2 2 7 8
70.83 5.01 1.3304 0 6 5 4
70.89 1.49 1.3294 5 6 1 8
71.13 4.29 1.3255 7 1 3 8
71.61 2.34 1.3178 6 4 3 8
71.70 5.13 1.3164 1 3 7 8
72.15 2.82 1.3092 4 7 0 4
73.03 2.00 1.2956 5 6 2 8
73.57 2.46 1.2873 2 6 5 8
73.75 1.46 1.2847 2 3 7 8
73.75 1.65 1.2847 3 7 3 8
74.10 1.38 1.2795 1 8 2 8
74.82 1.34 1.2690 7 4 1 8
74.98 1.73 1.2666 4 7 2 8
75.46 4.30 1.2597 6 2 5 8
75.47 1.13 1.2597 7 0 4 4
76.11 4.46 1.2506 7 3 3 8
76.13 1.10 1.2504 2 8 2 8
76.70 1.16 1.2426 1 0 8 4
77.06 1.13 1.2375 4 4 6 8
77.18 1.39 1.2359 8 0 2 4
77.31 4.43 1.2342 1 1 8 8
77.60 1.66 1.2303 1 8 3 8
78.36 2.55 1.2203 6 6 1 8
78.58 2.12 1.2175 0 6 6 4
78.70 1.11 1.2158 2 0 8 4
79.31 1.04 1.2080 2 1 8 8
79.54 1.08 1.2051 1 7 5 8
79.90 1.54 1.2006 8 3 0 4
81.37 2.14 1.1826 4 8 0 4
81.39 1.01 1.1823 5 6 4 8
81.77 2.36 1.1778 0 8 4 4
82.43 2.15 1.1701 1 8 4 8
84.12 2.84 1.1508 8 4 0 4
84.43 1.23 1.1474 5 7 3 8
84.71 1.02 1.1442 5 2 7 8
86.07 1.21 1.1296 6 3 6 8
87.42 1.01 1.1156 3 3 8 8
89.19 1.15 1.0980 5 7 4 8
89.69 1.41 1.0932 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.