Lotharmeyerite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R060862 Yang Y W, Evans S H, Downs R T, Yang H Acta Crystallographica E68 (2012) i9-i10 Lotharmeyerite, Ca(Zn,Mn)2(AsO4)2(H2O,OH)2 Locality: Mapimi, Durango, Mexico Note: RRUFF.info/R060862 _database_code_amcsd 0018604 CELL PARAMETERS: 9.0727 6.2530 7.4150 90.000 116.739 90.000 SPACE GROUP: C2/m ATOM X Y Z OCCUPANCY ISO(B) Ca 0.00000 0.00000 0.00000 1.000 1.074 Zn 0.25000 0.25000 0.50000 0.512 0.739 Mn 0.25000 0.25000 0.50000 0.488 0.739 As 0.41579 0.00000 0.20474 1.000 0.682 O 0.33900 0.50000 0.41320 1.000 1.105 O 0.31820 0.00000 0.35360 1.000 1.208 O 0.03469 0.27980 0.24370 1.000 1.003 O 0.25690 0.00000 -0.02650 1.000 1.571 H 0.44000 0.50000 0.46400 0.500 3.158 H 0.29800 0.50000 0.31300 1.000 3.158 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 7 +/- 5 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 19.47461369 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.37 24.13 6.6221 0 0 1 17.92 67.12 4.9503 1 1 0 19.21 27.04 4.6205 -1 1 1 19.89 6.58 4.4636 -2 0 1 25.25 18.90 3.5271 1 1 1 25.99 93.53 3.4287 -2 0 2 28.00 100.00 3.1866 -1 1 2 28.55 13.85 3.1265 0 2 0 30.62 96.10 2.9201 2 0 1 31.65 61.13 2.8272 0 2 1 32.93 55.88 2.7201 -3 1 1 35.04 87.51 2.5608 -2 2 1 35.13 22.93 2.5544 -3 1 2 36.23 1.45 2.4794 3 1 0 36.30 16.66 2.4751 2 2 0 36.56 3.39 2.4578 -2 0 3 36.56 23.83 2.4576 1 1 2 38.99 10.27 2.3102 -2 2 2 39.65 13.19 2.2732 0 2 2 39.88 2.28 2.2603 -1 1 3 40.28 4.10 2.2392 -4 0 1 40.42 3.63 2.2318 -4 0 2 40.88 9.13 2.2074 0 0 3 42.32 15.94 2.1358 2 0 2 42.35 9.29 2.1341 2 2 1 43.97 4.72 2.0594 3 1 1 44.74 5.24 2.0256 4 0 0 44.90 2.03 2.0186 1 3 0 45.12 1.14 2.0093 -4 0 3 45.48 3.59 1.9942 -1 3 1 47.03 5.60 1.9322 -2 2 3 48.60 3.62 1.8732 1 3 1 49.20 3.71 1.8518 -2 0 4 49.63 18.59 1.8369 1 1 3 50.11 1.09 1.8205 -4 2 1 50.23 3.36 1.8165 -4 2 2 50.23 11.18 1.8164 -1 3 2 50.62 4.64 1.8032 0 2 3 51.84 8.88 1.7636 2 2 2 52.25 3.35 1.7507 -3 1 4 53.31 2.37 1.7186 -1 1 4 53.41 15.94 1.7156 -3 3 1 53.45 16.14 1.7144 -4 0 4 53.88 6.15 1.7017 -5 1 1 53.93 12.46 1.7000 4 2 0 54.27 52.09 1.6903 -4 2 3 54.65 1.62 1.6795 3 1 2 54.93 3.21 1.6716 -3 3 2 55.11 4.42 1.6666 -5 1 3 55.51 10.51 1.6555 0 0 4 55.71 1.27 1.6501 3 3 0 55.94 2.94 1.6436 1 3 2 57.88 21.82 1.5933 -2 2 4 58.87 5.82 1.5687 5 1 0 59.10 22.96 1.5632 0 4 0 61.19 20.86 1.5146 4 2 1 61.54 2.78 1.5069 3 3 1 62.41 5.33 1.4879 -6 0 3 63.30 5.10 1.4691 -2 0 5 63.60 1.30 1.4631 0 2 4 63.74 12.39 1.4601 2 2 3 63.74 9.85 1.4601 4 0 2 63.85 1.08 1.4578 -6 0 1 64.45 2.35 1.4458 -4 0 5 65.64 9.68 1.4224 -2 4 2 66.14 7.13 1.4129 1 3 3 66.86 3.42 1.3993 -6 0 4 67.46 3.47 1.3883 3 1 3 68.02 15.43 1.3782 2 4 1 68.07 2.36 1.3774 -1 1 5 69.06 12.64 1.3600 -6 2 2 69.62 3.03 1.3504 6 0 0 69.74 3.92 1.3485 -5 3 1 70.26 4.48 1.3397 -5 1 5 70.40 1.34 1.3374 3 3 2 70.46 1.29 1.3364 2 0 4 70.80 3.12 1.3308 -5 3 3 71.29 2.55 1.3229 4 2 2 71.39 6.53 1.3212 -6 2 1 71.53 1.58 1.3191 -2 4 3 73.95 2.52 1.2818 -4 4 1 74.04 1.36 1.2804 -4 4 2 74.11 3.31 1.2793 5 3 0 74.36 3.09 1.2757 0 4 3 75.34 1.27 1.2615 -7 1 2 75.34 2.83 1.2614 2 4 2 77.06 1.00 1.2376 4 4 0 77.18 1.76 1.2360 1 5 0 78.06 3.77 1.2242 -7 1 4 78.42 10.92 1.2195 0 2 5 78.99 3.35 1.2121 -2 0 6 79.07 5.66 1.2111 -3 1 6 80.39 1.07 1.1945 -2 4 4 81.18 4.35 1.1849 -1 5 2 81.55 5.46 1.1805 -6 2 5 81.95 2.23 1.1757 3 3 3 82.31 2.05 1.1714 3 1 4 83.70 2.30 1.1555 -3 5 1 83.73 6.13 1.1551 -4 4 4 84.12 1.79 1.1508 -7 1 5 84.58 3.42 1.1457 -5 3 5 84.76 2.33 1.1437 -4 2 6 84.94 1.59 1.1418 -3 5 2 85.27 2.72 1.1382 7 1 0 85.42 4.17 1.1366 0 4 4 85.42 1.34 1.1366 6 2 1 85.78 1.79 1.1327 1 5 2 87.10 1.55 1.1189 2 0 5 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.