Mapimite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R080002 Ginderow D, Cesbron F Acta Crystallographica B37 (1981) 1040-1043 Structure de la mapimite, Zn2Fe3(AsO4)3(OH)4*10H2O Locality: Ojuela, Mapimi, Durango, Mexico Note: anisoB's from ICSD CELL PARAMETERS: 11.4090 11.3230 8.6820 90.000 107.820 90.000 SPACE GROUP: Cm ATOM X Y Z OCCUPANCY ISO(B) Zn 0.29700 0.00000 0.62270 1.000 0.700 Zn 0.75280 0.00000 0.67550 1.000 1.000 Fe 0.01710 0.00000 0.63340 1.000 0.400 Fe 0.08390 0.14170 0.35080 1.000 0.400 As 0.00000 0.00000 0.00000 1.000 0.600 As 0.86160 0.24330 0.48640 1.000 0.500 O 0.84920 0.00000 0.90650 1.000 1.000 O 0.08100 0.00000 0.86670 1.000 1.000 O 0.03780 0.12460 0.11450 1.000 1.000 O 0.71240 0.24050 0.37290 1.000 0.700 O 0.94820 0.24490 0.35840 1.000 1.300 O 0.88320 0.12040 0.60360 1.000 0.900 O 0.90040 0.36120 0.60790 1.000 0.900 OH 0.97910 0.00000 0.37710 1.000 0.500 OH 0.20280 0.00000 0.37710 1.000 0.500 OH 0.14070 0.11810 0.60420 1.000 0.700 Wa 0.34730 0.00000 0.86780 1.000 2.900 Wa 0.63980 0.00000 0.43920 1.000 1.700 Wa 0.64910 0.14180 0.72300 1.000 1.600 Wa 0.37710 0.00000 0.22540 1.000 3.900 Wa 0.74300 0.00000 0.16340 1.000 3.900 Wa 0.25590 0.24130 0.01510 1.000 14.200 Wa 0.03910 0.35450 0.02340 1.000 16.400 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 9 +/- 10 +/- 7 MAX. ABS. INTENSITY / VOLUME**2: 22.99093960 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 10.70 100.00 8.2655 0 0 1 11.29 81.14 7.8384 1 1 0 13.75 8.77 6.4421 -1 1 1 15.65 8.49 5.6615 0 2 0 16.32 1.84 5.4308 2 0 0 16.56 16.48 5.3523 -2 0 1 17.22 1.98 5.1481 1 1 1 19.00 38.40 4.6708 0 2 1 21.50 9.70 4.1327 0 0 2 21.99 1.68 4.0426 -1 1 2 22.17 12.25 4.0103 2 0 1 22.69 3.46 3.9192 2 2 0 22.70 2.08 3.9167 -2 0 2 22.86 25.91 3.8894 -2 2 1 25.84 22.21 3.4485 3 1 0 26.21 8.57 3.4002 -1 3 1 26.51 2.95 3.3622 1 1 2 26.71 18.58 3.3380 0 2 2 27.25 5.94 3.2725 2 2 1 27.69 20.97 3.2211 -2 2 2 28.24 14.84 3.1602 1 3 1 28.47 9.07 3.1352 -3 1 2 30.87 1.05 2.8967 3 1 1 30.94 9.81 2.8901 2 0 2 31.37 6.58 2.8515 -4 0 1 31.45 3.05 2.8445 -1 3 2 31.60 10.47 2.8314 -2 0 3 31.61 12.30 2.8307 0 4 0 32.50 7.77 2.7552 0 0 3 32.99 2.75 2.7154 4 0 0 33.46 2.42 2.6780 0 4 1 33.61 7.95 2.6662 -3 3 1 34.32 7.23 2.6128 3 3 0 34.85 2.12 2.5746 1 3 2 34.85 7.77 2.5741 2 2 2 35.24 12.57 2.5467 -4 2 1 35.27 2.44 2.5444 -3 1 3 35.45 6.53 2.5324 -2 2 3 35.77 16.99 2.5102 2 4 0 35.89 4.13 2.5023 -2 4 1 36.26 10.63 2.4774 0 2 3 36.40 10.82 2.4684 -3 3 2 36.71 11.26 2.4484 4 2 0 36.89 8.45 2.4364 1 1 3 37.16 10.09 2.4195 -4 2 2 37.91 3.93 2.3734 4 0 1 38.36 1.38 2.3468 3 3 1 38.55 4.59 2.3354 0 4 2 38.79 3.44 2.3215 -4 0 3 38.94 3.97 2.3127 2 4 1 39.27 1.64 2.2943 -2 4 2 40.36 1.63 2.2346 -5 1 1 41.02 2.64 2.2003 2 0 3 41.24 1.38 2.1888 4 2 1 41.74 3.62 2.1639 -2 0 4 42.72 2.64 2.1166 -1 1 4 43.48 2.15 2.0812 1 3 3 43.81 1.39 2.0664 0 0 4 44.16 2.10 2.0509 2 2 3 44.84 1.58 2.0213 -2 2 4 45.13 5.50 2.0089 -4 4 1 45.22 1.65 2.0052 4 0 2 46.33 3.09 1.9596 4 4 0 46.71 1.46 1.9447 -4 4 2 46.80 3.67 1.9411 0 2 4 46.81 1.46 1.9409 -3 5 1 47.35 2.43 1.9200 3 5 0 47.46 3.46 1.9157 -5 3 2 47.94 3.26 1.8975 1 1 4 48.22 2.13 1.8872 0 6 0 48.34 2.87 1.8828 5 3 0 48.66 1.72 1.8712 -1 3 4 48.96 2.55 1.8604 -3 5 2 49.55 1.48 1.8398 0 6 1 49.85 2.42 1.8292 -3 3 4 50.16 4.83 1.8187 4 4 1 50.84 1.89 1.7958 -6 2 1 50.87 4.57 1.7951 -4 4 3 50.98 1.08 1.7915 -5 3 3 51.25 1.63 1.7826 2 6 0 51.34 4.02 1.7798 -2 6 1 51.50 1.61 1.7746 -5 1 4 53.12 1.01 1.7243 6 2 0 53.29 1.46 1.7191 -2 4 4 53.37 1.67 1.7167 0 6 2 53.39 2.15 1.7160 3 3 3 53.57 1.47 1.7108 -3 5 3 53.88 1.60 1.7016 -6 2 3 53.93 1.89 1.7001 -2 6 2 54.08 1.16 1.6957 -3 1 5 54.11 1.54 1.6949 -1 1 5 54.20 2.20 1.6923 4 0 3 54.59 3.11 1.6811 2 2 4 54.74 1.10 1.6768 1 5 3 55.02 2.46 1.6690 0 4 4 55.34 1.61 1.6601 -2 2 5 55.54 1.24 1.6547 -4 0 5 56.22 5.81 1.6363 4 4 2 56.40 1.07 1.6314 -6 0 4 56.78 1.39 1.6214 4 2 3 57.20 3.39 1.6105 -4 4 4 57.26 4.71 1.6090 -7 1 2 57.61 1.12 1.5999 1 7 0 57.71 1.81 1.5974 6 2 1 58.13 2.29 1.5868 0 2 5 58.24 1.25 1.5842 -1 7 1 58.40 2.11 1.5801 2 6 2 58.66 1.29 1.5739 -6 4 1 58.80 1.47 1.5703 -2 6 3 58.90 1.41 1.5681 -6 4 2 58.91 1.00 1.5676 -6 2 4 59.17 4.98 1.5614 -3 3 5 59.29 1.17 1.5585 -7 1 3 59.36 4.06 1.5569 0 6 3 59.67 2.15 1.5497 4 6 0 59.98 2.35 1.5423 -4 6 2 60.73 1.47 1.5251 6 4 0 61.94 1.16 1.4982 6 0 2 62.78 1.25 1.4801 -2 4 5 62.93 2.48 1.4769 3 7 0 63.38 1.02 1.4675 3 5 3 63.66 1.03 1.4617 2 0 5 64.11 9.16 1.4525 4 4 3 64.12 1.97 1.4523 -7 3 3 64.32 1.07 1.4483 6 2 2 64.39 1.31 1.4470 -5 3 5 64.98 1.47 1.4351 7 3 0 65.19 1.38 1.4310 -3 1 6 65.32 5.59 1.4286 -4 4 5 65.37 1.75 1.4275 0 4 5 65.47 3.29 1.4257 -8 0 2 66.00 5.37 1.4154 0 8 0 66.26 1.04 1.4106 -8 0 1 66.82 1.51 1.4001 4 2 4 67.09 1.51 1.3951 0 8 1 67.18 1.24 1.3935 0 6 4 67.26 1.21 1.3920 5 3 3 68.29 1.49 1.3734 -4 2 6 68.56 1.10 1.3687 -8 2 1 68.65 1.88 1.3672 -3 5 5 69.15 1.17 1.3586 -8 2 3 69.22 1.37 1.3572 1 7 3 69.78 1.59 1.3478 -7 1 5 70.44 1.38 1.3367 -6 6 1 71.21 1.24 1.3242 6 4 2 84.43 1.03 1.1473 4 6 4 84.50 1.21 1.1466 -7 7 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.