Tiragalloite Gramaccioli C M, Pilati T, Liborio G Acta Crystallographica B35 (1979) 2287-2291 Structure of a manganese(II) arsenatotrisilicate, Mn4[AsSi3O12(OH)]: The presence of a new tetrapolyphosphate-like anion Locality: Molinello, near Chiavari, Liguria, Note: Displacement parameters taken from ICSD _database_code_amcsd 0009690 CELL PARAMETERS: 6.6600 19.9200 7.6700 90.000 95.700 90.000 SPACE GROUP: P2_1/n X-RAY WAVELENGTH: 1.541838 Cell Volume: 1012.526 Density (g/cm3): 3.856 MAX. ABS. INTENSITY / VOLUME**2: 6.003636608 RIR: 0.507 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 8.88 2.22 9.9600 0 2 0 2 14.08 35.34 6.2882 1 1 0 4 16.82 7.70 5.2697 -1 0 1 2 17.41 3.28 5.0945 -1 1 1 4 17.71 31.39 5.0095 0 3 1 4 17.81 5.00 4.9800 0 4 0 2 18.58 66.16 4.7747 1 0 1 2 18.92 28.78 4.6906 1 3 0 4 20.63 2.52 4.3055 1 2 1 4 21.30 8.40 4.1707 0 4 1 4 21.53 11.93 4.1278 -1 3 1 4 22.94 5.99 3.8765 1 3 1 4 23.31 13.70 3.8160 0 0 2 2 23.74 3.89 3.7479 0 1 2 4 24.60 2.99 3.6195 -1 4 1 4 24.99 4.33 3.5634 0 2 2 4 25.22 56.43 3.5318 0 5 1 4 25.85 4.30 3.4465 1 4 1 4 26.10 21.34 3.4145 1 5 0 4 26.15 1.40 3.4079 -1 1 2 4 26.85 1.16 3.3200 0 6 0 2 26.95 47.80 3.3086 0 3 2 4 27.28 63.13 3.2686 2 1 0 4 27.29 21.25 3.2674 -1 2 2 4 28.39 74.28 3.1441 2 2 0 4 28.64 42.47 3.1172 -2 1 1 4 29.19 22.15 3.0590 1 5 1 4 29.34 100.00 3.0444 0 6 1 4 29.49 85.75 3.0290 0 4 2 4 29.54 32.20 3.0237 1 2 2 4 29.69 70.60 3.0087 -2 2 1 4 30.14 4.46 2.9649 2 3 0 4 30.80 66.03 2.9035 2 1 1 4 31.24 54.92 2.8633 1 3 2 4 31.38 3.79 2.8505 -2 3 1 4 31.49 2.53 2.8409 -1 4 2 4 31.79 2.36 2.8152 2 2 1 4 31.86 38.00 2.8090 -1 6 1 4 32.49 79.82 2.7558 0 5 2 4 32.86 1.89 2.7258 1 6 1 4 33.38 24.11 2.6843 2 3 1 4 33.48 1.70 2.6763 1 4 2 4 33.61 31.32 2.6664 0 7 1 4 33.62 8.51 2.6658 -2 4 1 4 34.03 21.67 2.6349 -2 0 2 2 34.29 3.53 2.6148 1 7 0 4 34.33 41.07 2.6121 -2 1 2 4 34.33 23.50 2.6119 -1 5 2 4 35.23 8.91 2.5472 -2 2 2 4 35.50 26.37 2.5284 2 4 1 4 35.58 28.83 2.5235 0 1 3 4 35.85 54.13 2.5047 0 6 2 4 35.86 35.81 2.5039 -1 7 1 4 36.19 11.01 2.4822 1 5 2 4 36.31 16.16 2.4739 -2 5 1 4 36.45 16.76 2.4649 0 2 3 4 36.56 14.71 2.4581 -1 0 3 2 36.69 5.90 2.4491 -2 3 2 4 36.77 7.32 2.4445 1 7 1 4 36.84 7.79 2.4396 -1 1 3 4 37.55 9.52 2.3952 -1 6 2 4 37.68 1.24 2.3873 2 0 2 2 37.87 12.09 2.3756 0 3 3 4 38.01 2.30 2.3672 0 8 1 4 38.08 1.05 2.3629 2 5 1 4 38.38 24.77 2.3453 2 6 0 4 38.66 1.73 2.3290 -2 4 2 4 38.79 17.20 2.3216 2 2 2 4 39.17 3.52 2.2998 1 0 3 2 39.27 1.36 2.2940 1 6 2 4 39.44 7.43 2.2847 1 1 3 4 39.50 16.75 2.2812 0 7 2 4 39.79 3.21 2.2655 0 4 3 4 40.14 1.71 2.2465 2 3 2 4 40.87 3.52 2.2078 1 8 1 4 41.07 2.01 2.1976 -1 7 2 4 41.11 3.13 2.1956 3 1 0 4 41.41 34.97 2.1806 -3 0 1 2 41.84 2.45 2.1588 2 7 0 4 41.89 13.57 2.1566 3 2 0 4 42.44 2.55 2.1301 -3 2 1 4 42.68 5.21 2.1187 1 7 2 4 42.79 12.66 2.1135 -2 7 1 4 42.85 1.62 2.1103 -2 1 3 4 43.16 1.98 2.0961 3 3 0 4 43.34 25.85 2.0879 1 4 3 4 43.39 5.43 2.0853 0 8 2 4 43.60 6.34 2.0757 -2 2 3 4 43.87 1.35 2.0639 -2 6 2 4 44.03 2.24 2.0567 3 1 1 4 44.39 4.60 2.0406 -1 9 1 4 44.76 3.17 2.0246 3 2 1 4 44.85 4.01 2.0208 -1 8 2 4 44.89 3.75 2.0193 0 6 3 4 44.89 8.70 2.0193 3 4 0 4 45.15 8.72 2.0081 1 9 1 4 45.54 13.64 1.9918 1 5 3 4 45.57 22.30 1.9906 2 8 0 4 45.59 3.31 1.9899 -3 1 2 4 45.94 8.29 1.9756 -1 6 3 4 46.30 2.70 1.9607 -3 2 2 4 46.35 2.10 1.9590 1 8 2 4 46.45 2.74 1.9549 -2 8 1 4 46.87 4.07 1.9382 2 6 2 4 47.15 3.90 1.9274 0 10 1 4 47.48 1.54 1.9149 -3 3 2 4 47.89 7.26 1.8993 0 1 4 4 48.58 10.51 1.8739 0 2 4 4 48.85 2.64 1.8643 -1 9 2 4 48.88 5.99 1.8633 -1 10 1 4 48.97 2.68 1.8602 -1 7 3 4 49.09 12.86 1.8558 -3 4 2 4 49.53 3.87 1.8405 2 9 0 4 49.57 2.23 1.8391 3 6 0 4 49.68 7.66 1.8353 3 5 1 4 49.72 4.36 1.8338 0 3 4 4 49.86 9.93 1.8290 2 7 2 4 49.93 2.12 1.8267 3 1 2 4 50.05 2.49 1.8226 -3 6 1 4 50.43 5.84 1.8097 -2 8 2 4 50.79 1.46 1.7976 2 4 3 4 51.06 2.53 1.7887 1 7 3 4 51.08 1.20 1.7881 -2 6 3 4 51.10 3.62 1.7873 -3 5 2 4 51.28 1.88 1.7817 0 4 4 4 51.33 1.36 1.7798 1 1 4 4 51.70 1.11 1.7682 3 3 2 4 51.77 1.03 1.7659 0 10 2 4 51.89 12.79 1.7621 -1 4 4 4 51.89 19.04 1.7620 0 11 1 4 51.99 8.41 1.7589 1 2 4 4 52.06 1.27 1.7566 -3 0 3 2 52.30 1.70 1.7493 -1 8 3 4 52.38 2.02 1.7469 1 11 0 4 52.44 1.56 1.7450 3 7 0 4 52.76 1.80 1.7351 2 5 3 4 52.93 3.82 1.7299 -3 2 3 4 53.07 10.58 1.7256 1 3 4 4 53.15 1.96 1.7232 2 8 2 4 53.16 2.68 1.7229 -2 1 4 4 53.21 11.10 1.7214 3 4 2 4 53.51 5.26 1.7126 -1 11 1 4 53.69 5.16 1.7072 2 10 0 4 53.80 2.68 1.7039 -2 2 4 4 53.89 35.64 1.7013 -2 7 3 4 54.17 19.78 1.6932 1 11 1 4 54.30 13.25 1.6895 1 8 3 4 54.38 2.12 1.6872 1 10 2 4 54.47 1.88 1.6845 -2 10 1 4 54.56 1.97 1.6820 1 4 4 4 54.86 1.88 1.6736 -2 3 4 4 54.88 14.47 1.6728 3 7 1 4 55.09 3.64 1.6670 2 6 3 4 55.12 1.98 1.6663 3 5 2 4 55.34 3.48 1.6600 0 12 0 2 55.46 11.39 1.6568 4 0 0 2 55.47 3.47 1.6565 -3 4 3 4 55.67 23.04 1.6511 4 1 0 4 56.06 6.15 1.6404 -3 8 1 4 56.13 3.95 1.6385 -1 6 4 4 56.22 4.55 1.6362 -3 7 2 4 56.29 1.91 1.6343 4 2 0 4 56.31 17.55 1.6337 -2 4 4 4 56.44 1.53 1.6305 1 5 4 4 56.71 3.16 1.6231 2 9 2 4 56.75 16.30 1.6221 0 12 1 4 57.21 1.81 1.6103 1 12 0 4 57.32 7.76 1.6073 -3 5 3 4 57.43 1.72 1.6045 -4 3 1 4 57.77 1.11 1.5959 2 7 3 4 57.82 14.26 1.5948 1 9 3 4 57.97 10.13 1.5908 3 8 1 4 58.14 1.45 1.5867 2 0 4 2 58.15 6.35 1.5865 3 1 3 4 58.15 3.52 1.5864 -2 5 4 4 58.27 1.78 1.5833 -1 12 1 4 58.75 9.29 1.5716 3 2 3 4 58.78 2.17 1.5709 -1 7 4 4 58.85 3.19 1.5692 -4 4 1 4 58.90 6.64 1.5679 1 12 1 4 58.94 3.67 1.5670 2 2 4 4 58.94 4.51 1.5670 4 2 1 4 59.26 1.23 1.5592 -3 8 2 4 59.29 4.85 1.5586 -4 2 2 4 59.54 5.00 1.5526 -3 6 3 4 59.75 3.91 1.5477 3 3 3 4 59.75 13.61 1.5476 -1 10 3 4 59.94 3.69 1.5433 2 3 4 4 60.00 1.21 1.5418 3 7 2 4 60.28 5.28 1.5353 -4 3 2 4 60.52 2.96 1.5298 4 5 0 4 60.53 3.22 1.5295 2 10 2 4 60.64 7.04 1.5272 -4 5 1 4 60.77 5.30 1.5242 2 8 3 4 60.91 1.53 1.5209 -1 0 5 2 61.12 1.97 1.5162 -3 1 4 4 61.20 3.60 1.5145 0 8 4 4 61.32 3.25 1.5119 2 4 4 4 61.74 1.40 1.5024 -1 8 4 4 62.01 5.77 1.4966 -1 12 2 4 62.10 9.86 1.4947 -3 7 3 4 62.20 3.15 1.4924 -2 11 2 4 62.59 1.39 1.4842 2 12 0 4 62.67 1.74 1.4825 -1 3 5 4 62.67 1.63 1.4824 4 6 0 4 62.81 2.88 1.4793 3 10 0 4 62.88 2.33 1.4779 -2 7 4 4 63.06 3.11 1.4741 4 5 1 4 63.19 1.21 1.4714 -1 13 1 4 63.23 5.40 1.4707 -3 10 1 4 63.40 2.77 1.4671 -4 5 2 4 63.58 2.62 1.4634 4 1 2 4 63.77 1.03 1.4594 0 4 5 4 63.79 2.52 1.4590 1 13 1 4 64.01 12.76 1.4546 -1 4 5 4 64.02 5.38 1.4543 -3 4 4 4 64.12 1.13 1.4524 -2 10 3 4 64.12 1.20 1.4523 1 1 5 4 64.13 3.46 1.4522 -4 1 3 4 64.49 2.45 1.4449 2 12 1 4 64.60 3.47 1.4428 2 11 2 4 64.69 7.93 1.4409 1 2 5 4 64.97 13.38 1.4354 -3 8 3 4 64.98 2.24 1.4352 3 6 3 4 65.01 2.82 1.4346 3 10 1 4 65.10 2.90 1.4328 4 3 2 4 65.16 2.56 1.4316 4 6 1 4 65.40 4.16 1.4270 -2 2 5 4 65.48 1.99 1.4254 0 5 5 4 65.49 3.69 1.4252 -4 6 2 4 65.64 20.70 1.4224 1 3 5 4 65.66 1.68 1.4220 0 13 2 4 65.73 5.49 1.4206 -3 5 4 4 66.16 2.32 1.4124 3 9 2 4 66.34 4.22 1.4090 -2 3 5 4 66.42 12.91 1.4076 4 4 2 4 66.58 6.59 1.4045 -2 12 2 4 66.77 3.09 1.4010 -1 13 2 4 66.95 5.85 1.3976 1 4 5 4 67.31 2.32 1.3912 1 14 0 4 67.42 1.42 1.3891 3 7 3 4 67.60 8.61 1.3858 4 7 1 4 67.63 1.01 1.3852 2 10 3 4 67.65 1.24 1.3850 -2 4 5 4 67.96 4.18 1.3793 4 8 0 4 68.01 3.18 1.3784 -2 13 1 4 68.04 7.33 1.3779 0 10 4 4 68.06 1.34 1.3776 -2 11 3 4 68.09 6.35 1.3770 4 5 2 4 68.28 2.63 1.3737 -1 14 1 4 68.85 1.11 1.3636 1 14 1 4 68.89 4.00 1.3629 2 12 2 4 68.90 3.95 1.3628 -2 9 4 4 68.93 1.92 1.3623 3 11 1 4 69.68 2.28 1.3494 3 10 2 4 70.10 1.61 1.3424 -3 11 2 4 70.36 1.13 1.3381 2 8 4 4 70.36 1.73 1.3381 4 8 1 4 70.64 1.93 1.3334 -4 6 3 4 70.67 1.14 1.3329 -4 8 2 4 71.08 1.36 1.3263 4 9 0 4 71.18 6.91 1.3246 -2 13 2 4 71.42 12.80 1.3208 -3 12 1 4 71.62 5.14 1.3176 4 2 3 4 71.63 1.28 1.3175 -3 10 3 4 71.63 2.43 1.3174 -4 0 4 2 71.74 1.06 1.3156 -3 1 5 4 71.88 2.04 1.3135 0 11 4 4 72.06 2.35 1.3105 2 3 5 4 72.21 1.15 1.3083 0 15 1 4 72.26 4.97 1.3074 2 14 0 4 72.28 14.67 1.3071 -3 2 5 4 72.35 2.24 1.3061 -4 2 4 4 72.36 1.30 1.3059 -2 10 4 4 72.47 2.60 1.3042 4 7 2 4 72.60 7.74 1.3022 3 5 4 4 72.61 2.38 1.3021 1 15 0 4 72.72 1.80 1.3003 -1 13 3 4 72.89 1.20 1.2977 -3 8 4 4 73.10 2.97 1.2945 3 12 1 4 73.41 1.15 1.2897 -5 1 2 4 73.48 1.28 1.2887 3 11 2 4 74.05 2.57 1.2803 2 14 1 4 74.84 1.07 1.2687 -5 3 2 4 75.15 1.78 1.2642 4 8 2 4 75.27 4.95 1.2626 -1 2 6 4 75.66 1.49 1.2569 -4 8 3 4 75.91 1.74 1.2535 -1 9 5 4 76.15 1.08 1.2501 -1 3 6 4 76.80 2.90 1.2411 4 10 1 4 76.88 1.17 1.2401 2 6 5 4 77.38 1.82 1.2333 -5 6 1 4 77.52 1.13 1.2314 -1 14 3 4 77.72 1.10 1.2288 0 16 1 4 77.89 2.58 1.2264 -5 0 3 2 79.25 1.58 1.2088 -1 10 5 4 79.27 1.50 1.2085 -2 3 6 4 79.50 2.45 1.2056 3 8 4 4 79.60 1.62 1.2043 4 7 3 4 80.02 2.07 1.1990 3 1 5 4 80.11 2.44 1.1980 5 6 1 4 80.31 1.18 1.1955 3 11 3 4 80.48 2.94 1.1934 4 11 1 4 80.55 2.77 1.1926 3 2 5 4 81.41 1.15 1.1820 3 3 5 4 81.92 1.94 1.1760 3 13 2 4 82.02 1.19 1.1748 4 3 4 4 82.21 1.76 1.1727 4 12 0 4 82.31 3.40 1.1715 -4 12 1 4 82.57 1.18 1.1684 -1 15 3 4 82.68 1.66 1.1671 0 11 5 4 83.19 1.13 1.1613 0 7 6 4 83.23 1.89 1.1608 4 4 4 4 83.84 2.77 1.1539 1 17 0 4 84.46 2.39 1.1470 2 12 4 4 85.20 1.57 1.1389 -5 9 1 4 85.48 1.70 1.1360 -3 3 6 4 85.78 1.03 1.1328 -3 9 5 4 86.00 1.99 1.1303 5 0 3 2 86.36 1.68 1.1266 1 7 6 4 86.37 1.51 1.1265 -5 3 4 4 86.58 2.10 1.1243 3 14 2 4 86.98 1.63 1.1201 0 17 2 4 87.16 3.54 1.1183 0 16 3 4 87.57 1.53 1.1141 -4 6 5 4 87.67 8.00 1.1131 1 14 4 4 88.31 1.91 1.1067 0 18 0 2 88.53 3.09 1.1045 6 0 0 2 88.59 1.73 1.1039 2 16 2 4 88.70 2.02 1.1029 0 9 6 4 88.70 1.73 1.1028 6 1 0 4 88.78 1.78 1.1020 -6 2 1 4 88.93 6.74 1.1005 1 8 6 4 88.97 1.11 1.1002 -5 8 3 4 89.04 1.39 1.0995 -3 10 5 4 89.11 1.32 1.0988 -2 14 4 4 89.12 3.32 1.0987 -5 5 4 4 89.52 1.16 1.0949 1 16 3 4 89.84 1.02 1.0917 -1 1 7 4 90.00 4.47 1.0903 -6 0 2 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.