Rosslerite Ferraris G, Franchini-Angela M Acta Crystallographica B29 (1973) 286-292 Hydrogen bonding in the crystalline state. Crystal structure of MgHAsO4*7H2O roesslerite Note: B(1,3) of O2 was altered to reproduce axial lengths Locality: synthetic _database_code_amcsd 0009474 CELL PARAMETERS: 6.6918 25.7440 11.5380 90.000 95.150 90.000 SPACE GROUP: C2/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 1979.670 Density (g/cm3): 1.948 MAX. ABS. INTENSITY / VOLUME**2: 5.019622466 RIR: 0.839 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 6.87 53.06 12.8720 0 2 0 2 10.32 14.30 8.5724 0 2 1 4 13.72 53.89 6.4521 1 1 0 4 13.76 36.39 6.4360 0 4 0 2 15.15 1.71 5.8470 -1 1 1 4 15.42 8.98 5.7457 0 0 2 2 15.78 2.64 5.6153 0 4 1 4 16.33 5.74 5.4282 1 1 1 4 16.84 5.41 5.2637 1 3 0 4 16.90 30.83 5.2467 0 2 2 4 18.03 9.30 4.9194 -1 3 1 4 19.04 82.93 4.6621 1 3 1 4 19.78 100.00 4.4890 -1 1 2 4 20.70 37.06 4.2907 0 6 0 2 20.72 44.27 4.2862 0 4 2 4 21.59 31.85 4.1169 1 1 2 4 21.81 96.19 4.0745 1 5 0 4 22.75 1.32 3.9084 -1 5 1 4 23.56 4.28 3.7756 1 5 1 4 24.24 33.31 3.6714 0 2 3 4 25.92 25.15 3.4379 0 6 2 4 26.00 5.70 3.4271 -1 1 3 4 26.11 21.55 3.4132 -1 5 2 4 26.75 39.40 3.3324 2 0 0 2 27.09 43.98 3.2916 0 4 3 4 27.52 11.92 3.2408 1 5 2 4 27.82 1.98 3.2073 -1 3 3 4 28.07 2.58 3.1787 -2 2 1 4 28.11 6.67 3.1749 1 1 3 4 28.46 12.49 3.1361 -1 7 1 4 29.12 6.21 3.0662 1 7 1 4 29.40 13.95 3.0380 2 2 1 4 29.76 27.46 3.0020 -2 0 2 2 29.80 13.58 2.9977 1 3 3 4 30.20 13.60 2.9592 2 4 0 4 30.59 2.04 2.9226 -2 4 1 4 31.16 12.19 2.8706 -1 5 3 4 31.25 29.79 2.8624 -1 7 2 4 31.30 15.12 2.8575 0 6 3 4 31.87 5.99 2.8076 0 8 2 4 31.92 19.62 2.8039 0 2 4 4 32.24 6.73 2.7765 2 0 2 2 32.46 2.68 2.7584 1 7 2 4 32.92 4.07 2.7206 -2 4 2 4 32.96 1.26 2.7174 1 5 3 4 33.00 17.18 2.7141 2 2 2 4 33.01 5.79 2.7135 -1 1 4 4 34.07 3.74 2.6319 2 6 0 4 34.11 27.68 2.6286 1 9 0 4 34.41 2.89 2.6060 -2 6 1 4 34.74 2.10 2.5823 -1 9 1 4 34.77 2.42 2.5805 -2 2 3 4 34.85 7.29 2.5744 0 10 0 2 35.20 4.24 2.5494 2 4 2 4 35.30 9.62 2.5429 1 9 1 4 35.53 19.62 2.5267 2 6 1 4 36.47 2.52 2.4639 0 8 3 4 36.53 5.88 2.4597 -2 6 2 4 37.10 12.23 2.4230 -1 9 2 4 37.25 1.95 2.4138 1 7 3 4 37.29 11.08 2.4111 -1 5 4 4 37.68 3.15 2.3872 0 6 4 4 38.00 1.76 2.3682 2 2 3 4 38.31 1.88 2.3494 0 10 2 4 38.91 2.03 2.3149 2 8 0 4 39.22 1.22 2.2972 -2 8 1 4 39.35 1.19 2.2895 1 5 4 4 39.96 6.74 2.2564 2 4 3 4 40.22 5.66 2.2424 2 8 1 4 40.51 1.20 2.2271 -1 1 5 4 40.77 3.06 2.2134 3 1 0 4 40.87 2.64 2.2082 1 11 0 4 40.95 4.13 2.2041 -1 9 3 4 41.12 1.89 2.1951 -2 8 2 4 41.73 3.04 2.1644 0 4 5 4 41.75 21.19 2.1633 -1 3 5 4 42.05 1.34 2.1487 -2 4 4 4 42.30 4.63 2.1367 0 10 3 4 42.39 6.29 2.1324 1 9 3 4 42.43 2.10 2.1303 -3 1 2 4 42.90 4.75 2.1079 1 1 5 4 43.06 2.00 2.1008 2 6 3 4 43.46 3.37 2.0820 -1 11 2 4 43.48 10.22 2.0815 3 3 1 4 44.10 7.80 2.0536 1 3 5 4 44.17 3.49 2.0505 -1 5 5 4 44.41 12.31 2.0398 3 5 0 4 44.45 5.18 2.0382 -2 8 3 4 44.75 1.65 2.0252 -2 10 1 4 45.04 10.48 2.0130 -2 6 4 4 45.11 2.26 2.0098 0 12 2 4 45.65 1.03 1.9873 2 10 1 4 45.74 3.79 1.9838 2 4 4 4 45.97 3.23 1.9743 -3 5 2 4 46.35 1.04 1.9591 3 3 2 4 46.41 2.74 1.9564 1 5 5 4 46.47 12.99 1.9542 -2 10 2 4 46.48 1.46 1.9538 -2 2 5 4 46.88 1.02 1.9382 -1 11 3 4 47.12 1.11 1.9287 2 8 3 4 47.42 2.09 1.9172 0 10 4 4 47.47 3.42 1.9152 0 0 6 2 47.83 1.31 1.9016 3 7 0 4 47.88 8.82 1.8997 -3 7 1 4 48.03 2.40 1.8944 0 2 6 4 48.21 2.25 1.8878 2 10 2 4 48.39 1.05 1.8812 -1 1 6 4 48.54 1.06 1.8755 2 6 4 4 48.64 2.81 1.8718 0 12 3 4 48.69 9.28 1.8703 0 8 5 4 48.83 1.02 1.8652 1 13 1 4 49.16 2.55 1.8533 3 7 1 4 49.31 7.65 1.8481 -3 7 2 4 49.36 9.31 1.8462 3 1 3 4 49.70 2.08 1.8345 -3 1 4 4 50.25 5.15 1.8158 0 14 1 4 50.44 1.74 1.8094 3 3 3 4 50.74 1.60 1.7994 2 2 5 4 51.44 13.35 1.7765 -1 11 4 4 51.67 2.05 1.7689 2 12 1 4 51.91 3.07 1.7614 -1 9 5 4 52.13 2.30 1.7546 3 9 0 4 52.17 1.59 1.7531 -3 9 1 4 52.23 1.80 1.7514 0 14 2 4 52.28 1.76 1.7500 2 8 4 4 52.42 3.40 1.7454 -2 12 2 4 52.86 1.67 1.7320 -3 5 4 4 53.38 3.55 1.7164 3 9 1 4 53.47 1.16 1.7135 -2 2 6 4 53.52 1.76 1.7123 -3 9 2 4 53.71 1.64 1.7066 -2 10 4 4 53.91 1.73 1.7006 1 9 5 4 54.01 2.39 1.6978 1 5 6 4 54.48 4.55 1.6843 -2 8 5 4 54.50 2.68 1.6838 1 13 3 4 54.69 1.18 1.6784 -1 7 6 4 54.99 2.98 1.6697 -2 4 6 4 55.12 3.04 1.6662 4 0 0 2 55.27 2.67 1.6620 1 15 0 4 55.43 3.00 1.6577 0 14 3 4 55.47 5.00 1.6565 -4 2 1 4 55.58 4.75 1.6534 3 7 3 4 55.70 2.02 1.6502 -1 15 1 4 56.51 4.93 1.6284 0 2 7 4 56.64 3.52 1.6250 -1 1 7 4 56.82 1.31 1.6204 2 10 4 4 56.95 3.69 1.6168 -4 4 1 4 57.01 2.92 1.6155 4 2 1 4 57.17 3.00 1.6113 3 11 0 4 57.26 1.98 1.6090 0 16 0 2 57.37 3.88 1.6062 -1 15 2 4 57.53 1.42 1.6020 3 5 4 4 57.62 3.13 1.5997 -1 3 7 4 57.98 1.72 1.5907 0 4 7 4 58.03 1.91 1.5893 -4 4 2 4 58.12 1.83 1.5871 1 15 2 4 58.21 2.36 1.5850 2 14 1 4 58.31 9.75 1.5824 2 8 5 4 58.89 2.47 1.5683 0 12 5 4 59.14 1.48 1.5622 -2 12 4 4 59.37 1.04 1.5566 -4 6 1 4 59.48 4.30 1.5540 3 9 3 4 59.68 1.53 1.5494 0 16 2 4 60.42 1.09 1.5320 -4 6 2 4 61.07 3.19 1.5174 -2 2 7 4 61.09 1.17 1.5170 -3 1 6 4 61.56 2.16 1.5064 3 3 5 4 61.81 1.71 1.5010 -4 0 4 2 61.91 1.91 1.4989 2 6 6 4 62.37 3.53 1.4889 -1 7 7 4 62.47 2.64 1.4867 -2 4 7 4 62.66 1.02 1.4826 -4 8 1 4 62.67 3.11 1.4823 -1 13 5 4 62.91 1.76 1.4774 -3 13 1 4 62.94 1.96 1.4767 1 17 0 4 63.24 1.45 1.4704 4 2 3 4 63.63 1.99 1.4623 0 8 7 4 63.66 2.28 1.4618 2 14 3 4 63.87 1.17 1.4575 -3 5 6 4 63.98 2.43 1.4552 3 13 1 4 64.05 1.30 1.4537 -2 12 5 4 64.09 3.78 1.4529 4 8 1 4 64.43 4.10 1.4461 -3 11 4 4 64.46 1.82 1.4456 1 13 5 4 64.61 1.38 1.4424 4 4 3 4 64.88 1.26 1.4371 -1 17 2 4 64.95 4.62 1.4358 0 14 5 4 64.98 2.19 1.4353 -2 10 6 4 65.31 1.09 1.4287 -1 1 8 4 65.45 1.12 1.4260 1 11 6 4 65.83 1.34 1.4188 -4 8 3 4 65.86 2.44 1.4181 -2 16 2 4 65.93 2.87 1.4168 -4 6 4 4 66.76 1.79 1.4013 -4 10 1 4 67.47 1.46 1.3882 3 1 6 4 67.49 1.67 1.3879 0 18 2 4 67.55 1.00 1.3866 2 12 5 4 67.74 1.26 1.3833 -4 10 2 4 67.91 1.10 1.3803 -2 8 7 4 68.09 1.42 1.3769 1 1 8 4 68.94 1.11 1.3621 0 6 8 4 69.23 1.43 1.3570 4 4 4 4 69.51 1.03 1.3523 3 13 3 4 69.86 1.12 1.3464 -2 14 5 4 69.87 1.92 1.3462 -2 12 6 4 69.96 1.93 1.3447 4 8 3 4 70.11 3.25 1.3421 3 5 6 4 70.25 2.13 1.3399 0 18 3 4 70.35 1.25 1.3383 -3 15 2 4 71.21 1.21 1.3241 -1 17 4 4 71.35 1.27 1.3219 -5 3 1 4 71.59 1.36 1.3180 -4 12 1 4 71.70 1.48 1.3163 1 19 1 4 71.81 2.01 1.3145 -2 16 4 4 72.55 2.47 1.3030 -4 12 2 4 72.70 1.09 1.3006 2 18 1 4 72.96 1.93 1.2967 -4 10 4 4 73.03 1.15 1.2957 5 3 1 4 73.22 1.96 1.2927 -3 7 7 4 73.23 2.44 1.2926 2 14 5 4 73.38 1.08 1.2902 -4 4 6 4 74.00 2.79 1.2810 -5 3 3 4 75.34 1.48 1.2615 -1 3 9 4 75.55 1.46 1.2585 3 15 3 4 75.61 1.38 1.2577 -1 13 7 4 75.64 1.79 1.2573 -5 7 1 4 75.90 1.00 1.2536 2 4 8 4 76.32 1.51 1.2477 1 19 3 4 77.28 1.13 1.2346 5 7 1 4 77.53 2.14 1.2313 1 17 5 4 77.63 1.03 1.2299 2 18 3 4 78.01 1.20 1.2249 2 6 8 4 78.06 2.51 1.2242 -2 2 9 4 78.23 1.19 1.2219 4 10 4 4 78.29 1.32 1.2212 1 3 9 4 78.37 1.30 1.2202 -4 2 7 4 78.45 2.40 1.2191 4 14 1 4 78.59 1.06 1.2173 -5 5 4 4 78.82 1.02 1.2143 0 18 5 4 80.33 2.29 1.1952 3 11 6 4 81.48 1.09 1.1813 -1 15 7 4 82.56 1.47 1.1685 5 1 4 4 83.32 1.13 1.1598 4 6 6 4 83.41 1.33 1.1587 -1 19 5 4 84.27 1.15 1.1491 0 0 10 2 84.30 1.94 1.1487 -2 8 9 4 84.59 1.40 1.1456 3 19 1 4 84.67 1.28 1.1447 2 10 8 4 84.88 1.14 1.1424 -3 3 9 4 84.91 1.69 1.1421 -5 1 6 4 87.87 1.08 1.1111 -6 2 1 4 88.12 1.21 1.1086 -5 13 1 4 88.53 1.12 1.1045 -5 11 4 4 89.24 1.28 1.0976 -4 16 4 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.