Whiteite-(CaMnMn) Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R130055 Yakovenchuk V N, Keck E, Krivovichev S V, Pakhomovsky Y A, Selivanova E A, Mikhailova J A, Chernyatieva A P, Ivanyuk G Y Mineralogical Magazine 76 (2012) 2761-2771 Whiteite-(CaMnMn), CaMnMn2Al2[PO4]4(OH)2*8H2O, a new mineral from the Hagendorf-Sud granitic pegmatite, Germany Locality: Hagendorf-Sud granitic pegmatite, Germany _database_code_amcsd 0019707 CELL PARAMETERS: 14.9910 7.0220 10.0020 90.000 110.280 90.000 SPACE GROUP: P2/a ATOM X Y Z OCCUPANCY ISO(B) Ca 0.25000 0.97570 0.00000 0.930 1.705 Zn 0.25000 0.97570 0.00000 0.070 1.705 Mn 0.25000 0.47880 0.00000 0.990 1.461 Mg 0.25000 0.47880 0.00000 0.010 1.461 Mn 0.50000 0.00000 0.50000 0.970 1.232 Mg 0.50000 0.00000 0.50000 0.030 1.232 Mn 0.25000 0.49571 0.50000 1.000 1.319 Al 0.00000 0.00000 0.00000 0.870 0.987 Fe 0.00000 0.00000 0.00000 0.130 0.987 Al 0.00000 0.50000 0.00000 0.970 1.066 Fe 0.00000 0.50000 0.00000 0.030 1.066 P 0.17754 0.25640 0.18605 1.000 1.208 P 0.07970 0.74922 0.80459 1.000 0.955 O 0.26860 0.22980 0.14940 1.000 2.653 O 0.20160 0.28390 0.34240 1.000 1.721 O 0.11740 0.07860 0.13570 1.000 3.427 O 0.13170 0.43510 0.09610 1.000 1.911 O 0.18900 0.70850 0.85600 1.000 2.511 O 0.04560 0.77380 0.64500 1.000 1.627 O 0.07090 0.93400 0.88170 1.000 2.692 O 0.02790 0.58170 0.84230 1.000 2.179 OH 0.02060 0.75080 0.07980 1.000 0.995 Wa 0.22000 0.72900 0.33910 1.000 2.827 Wa 0.44960 0.22050 0.33880 1.000 2.874 Wa 0.63530 0.99750 0.47730 1.000 2.795 Wa 0.39400 0.51210 0.50990 1.000 2.456 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 12 +/- 6 +/- 8 MAX. ABS. INTENSITY / VOLUME**2: 11.13011975 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 9.43 36.25 9.3820 0 0 1 12.85 1.13 6.8874 -2 0 1 14.10 3.35 6.2822 1 1 0 15.71 15.04 5.6394 -1 1 1 17.85 32.83 4.9684 2 1 0 18.04 17.10 4.9170 -2 1 1 18.17 27.28 4.8822 1 1 1 18.92 32.39 4.6910 0 0 2 21.82 12.04 4.0733 -1 1 2 22.02 1.21 4.0359 -3 1 1 22.20 6.58 4.0038 2 1 1 22.66 11.86 3.9243 -2 1 2 22.81 7.78 3.8985 3 1 0 23.75 8.59 3.7461 -4 0 1 25.14 12.10 3.5419 -3 1 2 25.34 20.47 3.5154 4 0 0 25.37 1.58 3.5110 0 2 0 25.39 3.86 3.5074 1 1 2 25.87 20.20 3.4437 -4 0 2 27.18 12.90 3.2805 3 1 1 28.54 5.75 3.1273 0 0 3 28.62 1.01 3.1190 1 2 1 29.21 7.31 3.0575 2 1 2 29.80 2.40 2.9984 -2 1 3 30.08 20.73 2.9709 4 0 1 30.99 13.33 2.8854 -4 0 3 31.08 9.04 2.8777 -3 1 3 31.40 1.69 2.8488 2 2 1 31.73 1.93 2.8197 -2 2 2 31.84 100.00 2.8109 0 2 2 33.48 1.59 2.6763 -5 1 2 33.94 1.78 2.6412 1 1 3 34.35 4.04 2.6107 5 1 0 35.03 19.41 2.5617 -4 2 1 35.22 1.20 2.5482 2 0 3 36.14 1.11 2.4853 -6 0 1 36.16 1.49 2.4842 4 2 0 36.44 1.61 2.4659 -6 0 2 36.82 1.64 2.4411 2 2 2 36.89 2.26 2.4369 4 0 2 37.08 1.37 2.4243 -5 1 3 37.30 1.31 2.4107 -2 2 3 38.03 3.54 2.3661 -4 0 4 38.42 8.56 2.3429 -6 1 1 38.70 10.60 2.3266 -6 1 2 38.85 3.43 2.3181 -1 1 4 39.24 1.74 2.2958 -6 0 3 40.58 2.15 2.2231 6 1 0 41.38 1.79 2.1821 -6 1 3 41.92 1.37 2.1550 3 1 3 43.21 3.08 2.0937 1 1 4 43.90 2.92 2.0623 2 2 3 44.48 2.11 2.0366 -2 2 4 44.57 1.81 2.0330 -3 3 2 44.67 1.47 2.0285 -6 2 1 44.89 3.67 2.0193 6 1 1 44.92 1.97 2.0179 -6 2 2 44.98 2.10 2.0153 4 0 3 45.30 9.88 2.0019 4 2 2 45.84 2.50 1.9797 3 3 1 46.11 5.96 1.9687 -6 1 4 46.27 9.25 1.9621 -4 2 4 46.28 3.27 1.9617 -4 0 5 46.57 21.07 1.9503 0 2 4 46.70 2.62 1.9451 2 1 4 47.16 4.53 1.9273 2 3 2 47.32 1.27 1.9209 -3 1 5 47.41 1.32 1.9175 -2 1 5 47.55 2.10 1.9122 -2 3 3 48.61 19.08 1.8730 -8 0 2 50.45 1.92 1.8090 1 3 3 50.91 1.56 1.7936 6 1 2 52.03 1.58 1.7577 8 0 0 52.10 14.34 1.7555 0 4 0 52.34 1.18 1.7478 4 2 3 53.13 1.18 1.7238 2 3 3 53.20 2.10 1.7218 -8 0 4 53.64 1.71 1.7087 -2 3 4 54.13 1.06 1.6943 -1 3 4 55.48 2.21 1.6561 6 3 0 55.92 2.69 1.6441 0 4 2 56.12 1.22 1.6390 -6 3 3 58.74 12.04 1.5718 8 2 0 58.79 2.92 1.5706 4 4 0 58.96 1.52 1.5666 6 3 1 59.06 3.22 1.5640 -4 4 2 59.08 7.05 1.5637 0 0 6 59.82 7.95 1.5459 -8 2 4 59.97 2.03 1.5426 -6 3 4 60.12 1.25 1.5391 -6 1 6 60.57 5.19 1.5287 4 2 4 61.34 2.54 1.5114 4 4 1 61.87 2.05 1.4997 -4 4 3 61.89 6.18 1.4992 -4 2 6 62.53 1.40 1.4855 8 0 2 64.04 1.43 1.4539 6 3 2 65.53 1.17 1.4244 4 4 2 66.30 1.25 1.4098 -4 4 4 66.53 1.88 1.4054 0 4 4 66.83 1.25 1.4000 6 1 4 68.08 1.25 1.3772 2 5 0 68.60 4.23 1.3681 8 2 2 69.83 2.18 1.3470 4 2 5 70.58 3.93 1.3344 -8 2 6 71.30 1.83 1.3227 -4 2 7 72.22 1.11 1.3081 -6 3 6 74.01 6.50 1.2809 -8 4 2 74.47 1.60 1.2741 4 0 6 76.15 1.25 1.2501 -4 0 8 78.50 1.61 1.2184 8 0 4 81.33 1.18 1.1831 -8 0 8 82.64 2.73 1.1676 0 4 6 85.52 2.07 1.1355 0 6 2 87.75 2.46 1.1123 0 2 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.