Rhodocrosite
Merlini M, Hanfland M, Gemmi M
American Mineralogist 100 (2015) 2625-2629
The MnCO3-II high-pressure polymorph of rhodocrosite
Note: Sample run1-p13
Note: P = 41.55 GPa
Locality: Sardegna, Italy
_database_code_amcsd 0020355
CELL PARAMETERS: 2.9400 4.8560 5.5840 101.990 95.580 89.650
SPACE GROUP: P-1
X-RAY WAVELENGTH: 1.541838
Cell Volume: 77.604
Density (g/cm3): 4.893
MAX. ABS. INTENSITY / VOLUME**2: 11.06052479
RIR: 0.736
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
16.31 2.91 5.4358 0 0 1 2
18.68 7.26 4.7496 0 1 0 2
22.14 59.12 4.0145 0 -1 1 2
27.39 45.31 3.2565 0 1 1 2
30.55 1.19 2.9258 1 0 0 2
32.96 100.00 2.7179 0 0 2 2
33.32 10.96 2.6887 -1 0 1 2
34.44 6.43 2.6042 0 -1 2 2
35.81 23.21 2.5073 -1 1 0 2
36.27 11.48 2.4769 1 0 1 2
36.30 75.38 2.4751 1 1 0 2
36.91 3.18 2.4353 -1 -1 1 2
37.89 38.43 2.3748 0 2 0 2
38.06 52.16 2.3642 0 -2 1 2
39.18 24.48 2.2995 1 -1 1 2
39.99 53.16 2.2548 -1 1 1 2
43.15 19.28 2.0965 -1 0 2 2
44.54 62.03 2.0341 -1 -1 2 2
45.17 1.32 2.0073 0 -2 2 2
47.86 36.64 1.9005 1 0 2 2
48.77 7.22 1.8671 1 -1 2 2
48.84 28.40 1.8648 -1 -2 1 2
49.06 24.59 1.8570 -1 2 0 2
49.80 13.29 1.8309 1 2 0 2
50.00 14.84 1.8241 0 -1 3 2
50.13 28.42 1.8197 -1 1 2 2
50.30 23.34 1.8140 1 -2 1 2
53.74 2.87 1.7057 -1 2 1 2
53.81 1.42 1.7037 -1 -2 2 2
54.73 17.83 1.6771 1 1 2 2
56.48 13.21 1.6292 1 2 1 2
56.52 16.36 1.6283 0 2 2 2
56.95 4.07 1.6170 -1 -1 3 2
57.11 10.01 1.6129 -1 0 3 2
57.11 3.43 1.6128 0 -3 1 2
57.17 21.47 1.6113 0 -2 3 2
57.20 12.40 1.6105 1 -2 2 2
58.14 15.26 1.5865 0 1 3 2
58.28 9.80 1.5832 0 3 0 2
61.32 3.16 1.5117 0 -3 2 2
62.46 7.29 1.4869 1 -1 3 2
62.93 1.25 1.4770 1 0 3 2
63.44 2.72 1.4662 -1 2 2 2
63.60 13.69 1.4629 2 0 0 2
63.74 2.47 1.4600 -1 -2 3 2
64.30 5.78 1.4487 -2 0 1 2
65.71 1.09 1.4211 -1 -3 1 2
66.61 2.22 1.4039 1 -3 1 2
66.62 5.02 1.4038 -2 1 0 2
66.72 4.29 1.4019 -2 -1 1 2
67.65 4.17 1.3850 0 -1 4 2
67.70 1.05 1.3840 1 3 0 2
67.97 3.01 1.3791 2 0 1 2
68.48 2.86 1.3701 -2 1 1 2
68.72 1.19 1.3659 -1 -3 2 2
69.98 1.42 1.3444 -2 0 2 2
70.35 1.66 1.3382 0 -3 3 2
71.86 4.28 1.3137 -1 3 1 2
72.68 2.02 1.3009 -1 -1 4 2
75.53 2.46 1.2588 0 3 2 2
76.47 6.96 1.2456 -1 -3 3 2
76.88 1.19 1.2401 0 1 4 2
77.00 2.61 1.2384 2 0 2 2
77.06 2.17 1.2376 2 2 0 2
77.73 1.12 1.2286 2 -2 1 2
78.85 7.80 1.2139 0 -4 1 2
80.18 2.63 1.1971 -2 0 3 2
80.19 2.27 1.1970 -2 -1 3 2
80.75 2.64 1.1901 1 -3 3 2
80.86 1.31 1.1887 1 0 4 2
81.41 1.27 1.1820 -1 1 4 2
81.50 1.88 1.1810 -1 3 2 2
83.56 1.37 1.1570 0 -3 4 2
84.21 1.18 1.1497 2 -2 2 2
85.74 3.23 1.1331 1 3 2 2
86.26 1.72 1.1277 -2 1 3 2
87.70 1.23 1.1128 0 4 1 2
88.45 1.22 1.1053 1 1 4 2
88.57 1.50 1.1041 0 -4 3 2
89.88 2.42 1.0914 -2 -3 1 2
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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.