Correianevesite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R090069 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: 9.4880 10.1090 8.7010 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 +/- 7 MAX. ABS. INTENSITY / VOLUME**2: 13.70182103 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.81 2.42 6.4127 1 0 1 16.37 21.22 5.4151 1 1 1 17.55 47.51 5.0545 0 2 0 18.70 25.02 4.7440 2 0 0 20.41 4.57 4.3505 0 0 2 20.68 28.67 4.2946 2 1 0 22.40 7.65 3.9697 1 2 1 23.10 1.61 3.8511 2 1 1 25.76 17.16 3.4591 2 2 0 27.04 3.12 3.2973 0 2 2 27.75 100.00 3.2144 2 2 1 27.82 38.04 3.2064 2 0 2 28.66 27.60 3.1146 1 2 2 29.22 6.30 3.0563 2 1 2 29.96 5.28 2.9829 1 3 1 30.06 7.72 2.9724 3 0 1 32.28 14.67 2.7736 1 0 3 32.59 37.41 2.7472 2 3 0 33.09 11.80 2.7075 2 2 2 33.50 28.01 2.6748 1 1 3 34.23 1.18 2.6197 2 3 1 34.98 4.74 2.5648 1 3 2 35.02 1.32 2.5622 3 2 1 35.69 9.21 2.5156 0 2 3 36.22 19.09 2.4800 3 1 2 36.97 27.15 2.4316 1 2 3 37.04 3.90 2.4269 0 4 1 38.28 11.90 2.3512 1 4 1 40.41 14.72 2.2320 4 1 1 40.47 17.09 2.2291 3 3 1 41.31 11.38 2.1853 0 4 2 41.51 3.81 2.1753 0 0 4 41.81 3.85 2.1606 2 4 1 42.20 1.78 2.1415 1 3 3 42.28 2.88 2.1376 3 0 3 42.45 14.09 2.1295 1 4 2 43.26 2.10 2.0913 3 1 3 43.62 1.99 2.0751 1 1 4 44.46 8.17 2.0375 3 3 2 45.48 2.82 1.9945 2 3 3 45.71 3.71 1.9848 2 4 2 45.89 1.37 1.9773 2 0 4 46.11 16.23 1.9688 3 2 3 46.82 5.79 1.9405 2 1 4 46.84 5.71 1.9396 4 3 0 47.20 8.40 1.9255 4 2 2 47.21 9.10 1.9254 3 4 1 48.06 2.40 1.8932 4 3 1 49.14 6.25 1.8540 5 0 1 50.02 3.83 1.8236 5 1 1 50.57 4.39 1.8050 3 3 3 50.71 1.45 1.8002 1 5 2 50.78 1.05 1.7979 3 4 2 51.81 3.44 1.7647 3 1 4 52.58 4.87 1.7406 5 2 1 53.06 1.20 1.7258 4 2 3 53.45 5.17 1.7142 5 1 2 53.54 3.31 1.7116 1 0 5 53.75 5.77 1.7054 2 3 4 54.36 1.18 1.6876 1 1 5 54.46 2.29 1.6848 0 6 0 55.76 5.64 1.6487 0 4 4 55.88 4.49 1.6454 0 2 5 55.90 4.11 1.6447 5 2 2 56.31 1.30 1.6338 1 5 3 56.37 1.60 1.6321 3 4 3 56.47 11.15 1.6295 1 6 1 56.67 2.94 1.6244 5 3 1 56.67 1.59 1.6243 1 4 4 56.79 7.83 1.6212 1 2 5 57.11 1.56 1.6128 2 1 5 57.33 2.37 1.6072 4 4 2 57.48 1.57 1.6032 4 0 4 58.09 1.55 1.5879 5 0 3 58.10 1.66 1.5877 2 6 0 58.16 10.09 1.5862 3 5 2 58.27 1.75 1.5834 4 1 4 58.77 2.84 1.5711 0 6 2 58.87 4.21 1.5687 5 1 3 59.00 2.19 1.5657 2 5 3 59.13 1.67 1.5623 6 1 0 59.15 2.08 1.5619 2 6 1 59.34 11.61 1.5573 2 4 4 59.46 3.13 1.5546 2 2 5 59.65 2.42 1.5500 1 6 2 60.59 5.60 1.5282 4 2 4 60.69 1.05 1.5261 1 3 5 60.75 2.70 1.5246 3 0 5 61.17 12.64 1.5152 4 5 1 61.51 2.43 1.5076 3 1 5 62.09 1.41 1.4949 5 4 1 62.46 2.77 1.4870 6 2 1 63.47 3.28 1.4657 3 6 1 64.23 2.14 1.4502 0 0 6 64.35 5.55 1.4477 4 3 4 64.92 1.89 1.4364 5 3 3 65.17 1.17 1.4315 6 3 0 65.80 4.41 1.4193 1 1 6 65.91 1.08 1.4172 1 4 5 66.10 1.18 1.4136 2 5 4 67.38 1.77 1.3898 4 1 5 67.42 1.19 1.3891 3 3 5 67.84 3.00 1.3815 2 7 0 67.97 2.76 1.3791 1 2 6 68.15 2.08 1.3760 5 2 4 68.18 2.94 1.3755 6 1 3 69.07 1.27 1.3598 6 3 2 69.97 2.08 1.3445 5 4 3 70.29 5.25 1.3393 7 0 1 70.40 1.31 1.3374 2 2 6 70.73 2.25 1.3320 0 6 4 71.16 1.35 1.3249 6 4 1 71.67 1.93 1.3167 2 7 2 72.11 1.65 1.3099 4 6 2 73.09 1.46 1.2946 7 2 1 73.90 2.18 1.2824 2 6 4 74.00 1.22 1.2809 1 7 3 74.13 1.86 1.2791 6 0 4 74.70 1.07 1.2707 2 5 5 76.38 1.13 1.2469 1 4 6 76.88 2.43 1.2400 6 2 4 77.78 1.85 1.2280 7 0 3 79.22 1.40 1.2092 2 8 1 79.65 3.05 1.2037 1 8 2 81.95 1.63 1.1756 2 8 2 82.48 2.24 1.1694 1 5 6 83.92 1.40 1.1530 6 6 0 83.95 1.70 1.1527 4 5 5 84.20 1.38 1.1499 1 8 3 84.69 1.22 1.1445 6 5 3 84.76 2.03 1.1437 5 4 5 88.20 1.06 1.1078 1 4 7 88.53 3.08 1.1045 7 4 3 89.59 2.35 1.0942 3 3 7 89.84 1.06 1.0918 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.