Correianevesite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R130692 Chukanov N V, Scholz R, Zubkova N V, Pekov I V, Belakovskiy D I, Van K V, Lagoeiro L, Graca L M, Krambrock K, de Oliveire L C A, Menezes L A D, Chaves M L S C, Pushcharovsky D Y American Mineralogist 99 (2014) 811-816 Correianevesite, Fe2+Mn2+2(PO4)2*3H2O, a new reddingite-group mineral from the Cigana mine, Conselheiro Pena, Minas Gerais, Brazil Locality: Cigana mine, Conselheiro Pena, Minas Gerais, Brazil _database_code_amcsd 0020021 CELL PARAMETERS: 9.5160 10.1630 8.7285 90.000 90.000 90.000 SPACE GROUP: Pbna ATOM X Y Z OCCUPANCY ISO(B) Fe 0.00000 0.00000 0.00000 0.800 0.772 Mn 0.00000 0.00000 0.00000 0.200 0.772 Mn 0.06533 0.09720 0.63633 0.740 0.797 Fe 0.06533 0.09720 0.63633 0.260 0.797 P 0.20457 0.10607 0.29198 1.000 0.563 O 0.21646 0.25363 0.33350 1.000 0.953 O 0.10430 0.03779 0.40585 1.000 0.905 O 0.35133 0.04233 0.30005 1.000 0.970 O 0.14828 0.09733 0.12677 1.000 1.092 O -0.09290 0.25000 0.50000 1.000 1.563 O -0.02810 0.32654 0.14686 1.000 0.913 H 0.01800 0.25200 0.13400 1.000 4.106 H -0.11300 0.28700 0.15900 1.000 4.264 H -0.13900 0.19100 0.45400 1.000 4.343 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 8 +/- 9 +/- 8 MAX. ABS. INTENSITY / VOLUME**2: 13.54728600 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.77 2.41 6.4324 1 0 1 16.31 21.16 5.4352 1 1 1 17.45 47.56 5.0815 0 2 0 18.65 24.91 4.7580 2 0 0 20.35 4.56 4.3643 0 0 2 20.61 28.58 4.3091 2 1 0 22.30 7.65 3.9874 1 2 1 23.02 1.60 3.8639 2 1 1 25.65 17.14 3.4732 2 2 0 26.93 3.12 3.3108 0 2 2 27.64 100.00 3.2271 2 2 1 27.74 37.94 3.2162 2 0 2 28.55 27.58 3.1269 1 2 2 29.12 6.29 3.0663 2 1 2 29.81 5.29 2.9974 1 3 1 29.97 7.70 2.9812 3 0 1 32.17 14.61 2.7824 1 0 3 32.44 37.52 2.7596 2 3 0 32.96 11.79 2.7176 2 2 2 33.39 27.99 2.6836 1 1 3 34.07 1.18 2.6313 2 3 1 34.83 4.77 2.5761 1 3 2 34.89 1.32 2.5714 3 2 1 35.56 9.21 2.5249 0 2 3 36.10 19.06 2.4878 3 1 2 36.83 27.16 2.4405 1 2 3 36.84 3.94 2.4395 0 4 1 38.08 11.93 2.3631 1 4 1 40.28 14.70 2.2389 4 1 1 40.30 17.13 2.2380 3 3 1 41.11 11.43 2.1958 0 4 2 41.38 3.82 2.1821 0 0 4 41.60 3.86 2.1708 2 4 1 42.02 1.78 2.1501 1 3 3 42.14 2.88 2.1441 3 0 3 42.24 14.17 2.1395 1 4 2 43.12 2.10 2.0980 3 1 3 43.47 1.99 2.0818 1 1 4 44.28 8.20 2.0454 3 3 2 45.29 2.84 2.0022 2 3 3 45.50 3.74 1.9937 2 4 2 45.74 1.37 1.9835 2 0 4 45.94 16.26 1.9755 3 2 3 46.65 5.73 1.9469 4 3 0 46.66 5.80 1.9467 2 1 4 46.99 9.14 1.9338 3 4 1 47.04 8.41 1.9320 4 2 2 47.87 2.40 1.9002 4 3 1 48.99 6.25 1.8595 5 0 1 49.85 3.83 1.8291 5 1 1 50.37 4.40 1.8117 3 3 3 50.45 1.46 1.8090 1 5 2 50.56 1.05 1.8054 3 4 2 51.63 3.44 1.7703 3 1 4 52.40 4.87 1.7463 5 2 1 52.88 1.20 1.7315 4 2 3 53.28 5.18 1.7194 5 1 2 53.36 3.31 1.7170 1 0 5 53.54 5.80 1.7117 2 3 4 54.15 2.31 1.6938 0 6 0 54.17 1.18 1.6931 1 1 5 55.51 5.67 1.6554 0 4 4 55.67 4.50 1.6510 0 2 5 55.71 4.11 1.6500 5 2 2 56.03 1.31 1.6413 1 5 3 56.13 1.61 1.6386 3 4 3 56.15 11.25 1.6380 1 6 1 56.42 1.60 1.6309 1 4 4 56.45 2.94 1.6301 5 3 1 56.58 7.85 1.6267 1 2 5 56.91 1.56 1.6180 2 1 5 57.08 2.37 1.6135 4 4 2 57.29 1.57 1.6081 4 0 4 57.78 1.67 1.5957 2 6 0 57.88 10.16 1.5933 3 5 2 57.90 1.55 1.5927 5 0 3 58.07 1.75 1.5883 4 1 4 58.45 2.86 1.5791 0 6 2 58.67 4.21 1.5735 5 1 3 58.71 2.20 1.5726 2 5 3 58.83 2.10 1.5697 2 6 1 58.94 1.67 1.5670 6 1 0 59.09 11.66 1.5635 2 4 4 59.24 3.14 1.5598 2 2 5 59.32 2.45 1.5578 1 6 2 60.37 5.62 1.5332 4 2 4 60.44 1.05 1.5316 1 3 5 60.54 2.70 1.5294 3 0 5 60.88 12.71 1.5217 4 5 1 61.29 2.44 1.5124 3 1 5 61.83 1.42 1.5006 5 4 1 62.24 2.78 1.4917 6 2 1 63.13 3.31 1.4727 3 6 1 64.00 2.15 1.4548 0 0 6 64.10 5.56 1.4527 4 3 4 64.67 1.89 1.4414 5 3 3 64.92 1.17 1.4364 6 3 0 65.56 4.42 1.4239 1 1 6 65.63 1.08 1.4226 1 4 5 65.78 1.19 1.4196 2 5 4 67.14 1.78 1.3941 4 1 5 67.15 1.19 1.3939 3 3 5 67.44 3.03 1.3886 2 7 0 67.72 2.76 1.3837 1 2 6 67.90 2.08 1.3804 5 2 4 67.94 2.95 1.3797 6 1 3 68.81 1.27 1.3644 6 3 2 69.68 2.09 1.3495 5 4 3 70.05 5.26 1.3432 7 0 1 70.13 1.31 1.3418 2 2 6 70.36 2.27 1.3380 0 6 4 70.87 1.36 1.3297 6 4 1 71.26 1.95 1.3233 2 7 2 71.74 1.66 1.3156 4 6 2 72.83 1.46 1.2986 7 2 1 73.53 2.19 1.2881 2 6 4 73.59 1.22 1.2872 1 7 3 73.87 1.86 1.2829 6 0 4 74.35 1.08 1.2758 2 5 5 76.05 1.14 1.2515 1 4 6 76.60 2.43 1.2439 6 2 4 77.50 1.85 1.2316 7 0 3 78.73 1.41 1.2154 2 8 1 79.17 3.08 1.2099 1 8 2 81.46 1.64 1.1815 2 8 2 82.10 2.25 1.1739 1 5 6 83.50 1.41 1.1577 6 6 0 83.56 1.71 1.1571 4 5 5 83.69 1.39 1.1556 1 8 3 84.30 1.22 1.1488 6 5 3 84.39 2.03 1.1477 5 4 5 87.81 1.06 1.1117 1 4 7 88.15 3.08 1.1083 7 4 3 89.21 2.34 1.0979 3 3 7 89.37 1.06 1.0962 1 6 6 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.