Kazanskyite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern for R130020 Camara F, Sokolova E, Hawthorne F C Mineralogical Magazine 76 (2012) 473-492 Kazanskyite, BaTiNbNa3Ti(Si2O7)2O2(OH)2(H2O)4, a Group-III Ti-disilicate mineral from the Khibiny alkaline massif, Kola Peninsula, Russia: description and crystal structure Locality: Khibiny alkaline massif, Kola Peninsula, Russia _database_code_amcsd 0018995 CELL PARAMETERS: 5.4260 7.1350 25.5140 98.172 90.916 89.964 SPACE GROUP: P-1 ATOM X Y Z OCCUPANCY ISO(B) Ti 0.39620 0.14320 0.30847 0.740 2.171 Mn 0.39620 0.14320 0.30847 0.260 2.171 Na 0.38110 0.63730 0.30400 1.000 2.566 Na 0.88730 0.89540 0.30320 0.780 0.995 Ca 0.88730 0.89540 0.30320 0.110 0.995 Mn 0.88730 0.89540 0.30320 0.110 0.995 Na 0.88600 0.38280 0.30420 0.770 0.908 Mn 0.88600 0.38280 0.30420 0.200 0.908 Fe 0.88600 0.38280 0.30420 0.030 0.908 Ti 0.74440 0.70590 0.41946 0.980 1.129 Al 0.74440 0.70590 0.41946 0.020 1.129 Nb 0.01720 0.57590 0.18391 0.630 1.374 Ti 0.01720 0.57590 0.18391 0.370 1.374 Si 0.24640 0.41640 0.41368 1.000 0.876 Si 0.24250 -0.01590 0.41606 1.000 0.900 Si 0.51250 0.87400 0.19727 1.000 0.884 Si 0.52490 0.29610 0.19860 1.000 2.132 Ba 0.74633 0.23498 0.47349 0.560 0.861 Sr 0.74633 0.23498 0.47349 0.220 0.861 K 0.74633 0.23498 0.47349 0.150 0.861 Ca 0.74633 0.23498 0.47349 0.030 0.861 Ba 0.01340 0.06540 0.13298 0.140 2.661 Sr 0.01340 0.06540 0.13298 0.060 2.661 K 0.01340 0.06540 0.13298 0.060 2.661 O 0.50900 0.91510 0.25920 1.000 1.737 O 0.51720 0.07090 0.17300 1.000 2.456 O 0.77200 0.37560 0.17700 1.000 3.790 O 0.48220 0.53780 0.44030 1.000 1.579 O 0.24630 0.21490 0.44070 1.000 1.105 O 0.49660 0.91040 0.43900 1.000 0.711 O -0.00100 0.90260 0.44230 1.000 1.342 O 0.23700 0.36650 0.35150 1.000 1.658 O 0.00300 0.52460 0.43640 1.000 0.947 O 0.23700 0.95840 0.35200 1.000 1.184 O 0.27940 0.75620 0.17390 1.000 1.816 O 0.53800 0.32950 0.26450 1.000 1.737 O 0.26600 0.37120 0.17530 1.000 2.527 O 0.75450 0.76830 0.17520 1.000 1.816 O 0.74410 0.66330 0.35370 1.000 1.595 O 0.02410 0.61060 0.25620 1.000 2.606 OH 0.67850 0.16400 0.35210 0.700 1.705 F 0.67850 0.16400 0.35210 0.300 1.705 OH 0.08140 0.11460 0.26420 0.700 1.682 F 0.08140 0.11460 0.26420 0.300 1.682 Wa 0.00610 0.53100 0.09520 1.000 3.948 Wa 0.23500 0.19900 0.05630 0.260 3.948 Wa 0.50700 0.59300 0.08090 0.710 3.948 Wa 0.51100 0.16700 0.03700 0.460 3.948 Wa 0.52300 0.41600 0.05460 0.340 3.948 Wa 0.50200 0.89200 0.06440 0.290 3.948 Wa 0.14500 0.44600 0.00010 0.250 3.948 Wa -0.01300 0.88000 0.06440 0.400 3.948 Wa 0.29800 -0.00200 -0.00110 0.310 3.948 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 4 +/- 6 +/- 23 MAX. ABS. INTENSITY / VOLUME**2: 5.684939543 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 7.00 98.93 12.6258 0 0 2 10.51 100.00 8.4172 0 0 3 12.53 3.57 7.0671 0 -1 1 12.53 4.54 7.0625 0 1 0 13.47 3.66 6.5748 0 -1 2 13.49 7.58 6.5638 0 1 1 15.19 9.70 5.8341 0 -1 3 15.22 11.96 5.8213 0 1 2 16.66 2.64 5.3218 -1 0 1 17.46 9.55 5.0791 0 -1 4 17.50 9.77 5.0673 0 1 3 17.56 5.37 5.0503 0 0 5 19.32 7.68 4.5939 -1 0 3 19.61 2.00 4.5271 1 0 3 20.61 11.94 4.3093 -1 -1 1 20.63 16.36 4.3059 -1 1 0 20.66 14.69 4.2990 1 1 0 20.67 8.23 4.2976 1 -1 1 21.11 7.81 4.2086 0 0 6 21.16 8.62 4.1987 -1 -1 2 21.19 7.31 4.1935 -1 1 1 21.30 2.40 4.1707 1 -1 2 21.77 10.63 4.0823 1 0 4 22.49 32.35 3.9537 1 -1 3 22.50 30.41 3.9516 1 1 2 23.01 8.89 3.8650 0 -1 6 23.06 12.31 3.8568 0 1 5 23.86 13.77 3.7297 -1 -1 4 23.88 4.76 3.7266 -1 0 5 23.90 19.07 3.7234 -1 1 3 24.14 13.08 3.6863 1 -1 4 24.16 6.62 3.6833 1 1 3 24.27 1.50 3.6673 1 0 5 24.68 11.19 3.6074 0 0 7 24.96 14.51 3.5675 0 -2 1 25.85 22.16 3.4468 -1 -1 5 25.89 11.23 3.4408 -1 1 4 25.94 4.87 3.4352 0 -2 3 25.97 5.15 3.4310 0 2 1 26.09 13.66 3.4153 0 -1 7 26.14 8.78 3.4086 0 1 6 26.21 3.26 3.3998 1 1 4 26.60 3.98 3.3515 -1 0 6 27.02 2.34 3.2998 1 0 6 27.13 3.81 3.2874 0 -2 4 27.17 3.59 3.2819 0 2 2 28.27 69.22 3.1565 0 0 8 28.54 25.71 3.1275 1 -1 6 28.57 23.24 3.1241 1 1 5 29.36 1.92 3.0422 0 1 7 29.97 10.19 2.9819 1 0 7 29.97 3.49 2.9816 -1 -2 1 29.99 3.36 2.9800 1 -2 1 30.14 3.54 2.9648 -1 -2 2 30.17 6.78 2.9618 -1 2 0 30.22 8.35 2.9573 1 2 0 30.22 3.00 2.9571 1 -2 2 30.65 8.83 2.9170 0 -2 6 30.72 7.30 2.9106 0 2 4 30.73 11.10 2.9092 -1 -1 7 30.78 5.83 2.9048 -1 2 1 30.79 10.72 2.9043 -1 1 6 30.88 18.26 2.8959 1 -2 3 30.89 11.36 2.8948 1 2 1 31.14 2.58 2.8717 1 -1 7 31.18 3.17 2.8684 1 1 6 31.73 73.06 2.8201 -1 -2 4 31.79 73.05 2.8152 -1 2 2 32.59 8.46 2.7475 -1 0 8 32.62 17.11 2.7448 0 -1 9 32.68 13.17 2.7403 0 1 8 32.87 3.45 2.7245 0 -2 7 32.95 3.00 2.7182 0 2 5 33.06 2.24 2.7094 1 0 8 33.09 20.69 2.7073 -1 -2 5 33.16 9.09 2.7020 -1 2 3 33.16 15.49 2.7017 -2 0 1 33.28 34.28 2.6925 2 0 1 33.34 7.70 2.6877 1 -2 5 33.37 7.58 2.6849 1 2 3 33.51 10.99 2.6741 -1 -1 8 33.57 11.08 2.6698 -1 1 7 33.68 6.13 2.6609 -2 0 2 33.91 26.78 2.6434 2 0 2 34.78 1.78 2.5797 -1 -2 6 34.85 4.85 2.5743 -1 2 4 34.91 2.62 2.5699 2 0 3 35.07 15.49 2.5588 1 -2 6 35.12 14.65 2.5555 1 2 4 35.55 1.77 2.5252 0 0 10 35.79 4.47 2.5087 -1 0 9 35.82 1.65 2.5069 -2 0 4 36.03 5.88 2.4927 0 -1 10 36.09 5.66 2.4889 0 1 9 36.25 9.14 2.4779 2 0 4 36.28 2.70 2.4760 1 0 9 36.75 2.61 2.4454 -1 -2 7 36.92 2.87 2.4345 1 -1 9 36.97 6.23 2.4317 1 1 8 37.43 1.72 2.4024 -2 1 3 37.78 1.72 2.3812 2 -1 4 37.79 1.72 2.3808 2 1 3 37.88 1.76 2.3754 0 -3 1 38.02 1.57 2.3667 0 -2 9 38.73 3.37 2.3249 -2 -1 5 38.77 1.92 2.3227 -2 1 4 39.07 1.53 2.3053 -1 2 6 39.10 3.23 2.3035 -1 0 10 39.20 2.27 2.2981 2 -1 5 39.21 1.92 2.2974 2 1 4 39.25 4.82 2.2956 0 0 11 39.35 1.61 2.2897 1 -2 8 39.61 2.57 2.2754 1 0 10 39.82 7.49 2.2636 2 0 6 39.88 1.28 2.2603 0 -3 5 40.04 1.16 2.2521 1 -1 10 40.36 1.63 2.2350 -2 -1 6 40.40 2.19 2.2327 -2 1 5 40.93 1.18 2.2052 2 1 5 41.32 1.92 2.1850 -2 0 7 41.43 4.24 2.1792 -1 -2 9 41.47 2.06 2.1775 -1 -3 2 41.50 2.44 2.1761 1 -3 1 41.53 5.03 2.1743 -1 2 7 41.76 2.92 2.1630 -1 -3 3 41.85 1.32 2.1583 1 3 0 41.93 9.46 2.1547 -2 -2 2 41.96 14.12 2.1529 -2 2 0 41.99 1.90 2.1515 2 0 7 42.04 8.54 2.1495 2 2 0 42.05 4.22 2.1488 2 -2 2 42.25 1.05 2.1392 -2 -1 7 42.29 1.34 2.1370 -2 1 6 42.35 6.64 2.1340 -2 -2 3 42.40 3.40 2.1319 -2 2 1 42.42 1.05 2.1307 -1 3 1 42.50 2.81 2.1269 1 -3 4 42.51 1.24 2.1264 -1 0 11 42.52 1.24 2.1260 1 3 1 42.56 4.87 2.1240 2 2 1 42.57 8.32 2.1238 2 -2 3 42.78 2.16 2.1138 0 -3 7 42.86 4.38 2.1098 0 3 4 43.03 4.25 2.1021 1 0 11 43.07 8.84 2.1000 0 -1 12 43.13 10.59 2.0973 0 1 11 43.27 4.14 2.0909 1 -1 11 43.28 1.40 2.0906 -1 -3 5 43.32 3.83 2.0887 1 1 10 43.35 1.19 2.0873 -1 3 2 43.65 4.10 2.0738 -2 0 8 44.08 3.64 2.0544 -1 -2 10 44.12 5.35 2.0526 -2 -2 5 44.18 5.02 2.0498 -1 2 8 44.19 6.29 2.0497 -2 2 3 44.38 4.19 2.0413 -2 -1 8 44.43 3.08 2.0391 -2 1 7 44.50 1.77 2.0358 1 -2 10 44.51 3.17 2.0355 2 -2 5 44.53 3.99 2.0348 2 2 3 44.58 1.58 2.0324 1 2 8 44.63 10.70 2.0305 0 -3 8 44.72 8.59 2.0263 0 3 5 45.07 7.97 2.0115 2 -1 8 45.10 6.29 2.0105 2 1 7 46.01 1.84 1.9726 -1 0 12 46.11 4.34 1.9688 -1 -1 12 46.17 4.35 1.9663 -1 1 11 46.17 2.41 1.9661 -2 0 9 46.21 2.90 1.9643 1 -3 7 46.28 1.95 1.9618 1 3 4 46.70 1.12 1.9449 0 -1 13 46.77 1.79 1.9424 0 0 13 46.96 2.58 1.9347 2 0 9 47.48 2.25 1.9150 2 -1 9 47.51 2.80 1.9139 2 1 8 47.68 2.58 1.9073 -1 -3 8 47.79 3.29 1.9031 -1 3 5 49.01 3.65 1.8588 0 -3 10 49.13 4.15 1.8545 0 3 7 49.27 2.26 1.8496 -2 -1 10 49.32 1.27 1.8476 -2 1 9 49.54 1.26 1.8400 -1 -1 13 49.65 2.99 1.8363 -1 -3 9 49.72 1.15 1.8337 2 0 10 49.77 2.91 1.8322 -1 3 6 49.87 4.37 1.8285 -1 -2 12 49.99 3.72 1.8246 -1 2 10 50.12 1.61 1.8200 1 1 12 50.34 1.38 1.8126 1 -2 12 50.43 1.39 1.8095 1 2 10 51.07 1.40 1.7885 -2 -3 2 51.11 1.74 1.7872 2 -3 1 51.12 1.15 1.7869 -2 -3 1 51.21 26.46 1.7837 0 -4 2 51.34 8.43 1.7796 0 -4 3 51.35 1.68 1.7794 -2 3 0 51.50 2.06 1.7745 0 -3 11 51.63 2.30 1.7704 0 3 8 51.79 4.04 1.7652 -2 -3 4 51.86 3.39 1.7631 -2 3 1 51.99 4.25 1.7590 -2 -1 11 52.03 3.87 1.7578 2 -3 4 52.03 3.02 1.7577 2 3 1 52.04 4.74 1.7572 -2 1 10 52.19 1.27 1.7528 1 -3 10 52.28 1.35 1.7497 1 3 7 52.41 1.32 1.7459 -3 0 4 52.46 1.21 1.7442 0 4 1 52.64 3.66 1.7386 2 0 11 52.84 1.24 1.7325 2 -1 11 52.86 1.67 1.7321 -3 -1 3 52.88 2.02 1.7314 2 1 10 52.88 2.36 1.7313 -3 1 2 53.24 1.36 1.7204 -2 2 8 53.62 4.54 1.7093 1 -1 14 53.67 3.72 1.7077 1 1 13 53.88 1.11 1.7016 2 -2 10 53.94 2.25 1.6999 2 2 8 53.97 1.29 1.6991 2 -3 6 54.02 1.65 1.6974 3 1 3 54.25 1.29 1.6909 0 1 14 55.13 4.51 1.6659 3 -1 5 55.13 3.52 1.6658 3 1 4 55.64 2.04 1.6519 3 0 6 55.71 4.37 1.6499 2 0 12 55.83 2.89 1.6468 -3 -1 6 55.87 3.29 1.6457 -3 1 5 56.24 8.57 1.6356 -1 -2 14 56.36 8.00 1.6324 -1 2 12 56.39 1.25 1.6317 2 -2 11 56.47 1.09 1.6295 -2 3 5 56.71 2.90 1.6232 -1 -1 15 56.75 1.23 1.6222 1 -2 14 56.78 2.81 1.6215 -1 1 14 57.09 6.13 1.6134 -3 -2 1 57.12 2.60 1.6126 3 -2 1 57.15 2.88 1.6117 -3 -2 2 57.16 1.66 1.6115 0 3 10 57.19 5.95 1.6107 -3 2 0 57.27 3.19 1.6085 3 2 0 57.29 1.10 1.6081 0 2 13 57.30 4.25 1.6080 3 -2 2 57.47 7.74 1.6035 -3 -2 3 57.52 5.49 1.6023 -3 2 1 57.71 1.62 1.5975 0 4 5 58.09 3.00 1.5879 -2 -3 9 58.21 1.52 1.5848 -2 3 6 58.48 1.04 1.5782 0 0 16 58.68 4.59 1.5733 2 -3 9 58.75 3.69 1.5717 2 3 6 59.46 2.02 1.5545 0 -4 10 59.62 1.98 1.5507 -1 -2 15 59.75 1.25 1.5478 -1 2 13 59.87 1.02 1.5449 3 1 7 60.15 3.87 1.5384 1 -2 15 60.25 6.10 1.5360 1 2 13 60.45 1.00 1.5315 -1 -1 16 60.92 1.02 1.5207 -3 -1 9 60.97 1.84 1.5196 -3 1 8 61.04 1.78 1.5181 -2 -2 13 61.15 1.41 1.5155 -2 2 11 61.26 2.35 1.5132 -2 0 14 61.89 1.76 1.4992 3 -2 7 61.91 2.18 1.4988 3 2 5 62.19 1.41 1.4926 -2 -3 11 62.34 3.14 1.4896 -2 3 8 62.35 1.48 1.4892 -2 -4 3 62.41 1.82 1.4880 2 -4 1 62.44 5.26 1.4873 -2 -4 1 62.46 2.89 1.4868 2 -4 3 62.53 2.69 1.4854 0 0 17 62.67 2.10 1.4824 -2 -4 4 62.74 1.43 1.4809 -2 4 0 62.85 3.70 1.4787 2 4 0 62.85 6.54 1.4785 2 -4 4 62.99 1.32 1.4756 2 3 8 63.49 1.13 1.4652 2 4 1 63.67 8.09 1.4614 1 -2 16 63.78 7.67 1.4592 1 2 14 63.82 1.26 1.4585 0 -4 12 64.12 1.49 1.4524 -2 4 2 64.13 1.14 1.4521 -1 4 7 64.54 5.09 1.4439 -2 -3 12 64.69 4.50 1.4409 -2 3 9 64.93 1.33 1.4361 1 1 16 65.31 3.89 1.4287 2 -3 12 65.40 3.61 1.4269 2 3 9 66.42 1.20 1.4076 -2 4 4 66.67 4.70 1.4029 0 0 18 66.76 1.35 1.4011 -1 -2 17 66.90 1.16 1.3987 -1 2 15 67.95 1.10 1.3795 -1 -5 2 68.27 5.49 1.3738 -2 0 16 68.67 1.19 1.3668 1 -5 5 68.69 1.31 1.3664 1 5 0 68.71 1.47 1.3661 -1 -3 16 68.89 1.71 1.3630 -1 3 13 69.28 5.99 1.3563 4 0 0 69.31 1.30 1.3557 -1 5 1 69.37 1.72 1.3547 2 0 16 69.60 2.58 1.3509 -4 0 2 70.10 4.76 1.3424 -4 0 3 70.11 1.89 1.3423 -1 -5 7 70.21 1.04 1.3405 -1 5 2 70.50 2.29 1.3357 4 0 3 70.98 1.02 1.3279 -3 2 10 71.42 1.08 1.3208 1 -5 8 71.50 1.92 1.3195 1 5 3 71.77 1.64 1.3152 -4 0 5 71.83 1.12 1.3142 3 -1 13 71.99 4.22 1.3118 -2 0 17 72.44 1.62 1.3047 4 0 5 72.77 1.18 1.2995 1 -5 9 73.13 1.58 1.2941 2 0 17 73.42 1.35 1.2896 -3 -1 14 73.49 1.97 1.2887 -3 1 13 73.61 1.20 1.2867 2 -3 15 74.07 1.47 1.2800 -1 -5 10 76.18 1.66 1.2496 1 -3 18 76.35 1.52 1.2473 1 3 15 76.58 1.45 1.2442 2 4 9 78.13 1.43 1.2233 -4 -1 9 79.53 1.02 1.2053 -1 3 16 80.12 1.02 1.1978 0 -5 14 80.33 1.09 1.1952 0 5 9 80.83 2.04 1.1892 0 -6 3 81.09 1.70 1.1860 2 0 19 82.49 1.28 1.1693 -1 5 9 84.04 1.29 1.1517 -1 -6 6 84.13 1.26 1.1507 -1 6 0 85.09 1.07 1.1401 0 4 15 86.68 1.02 1.1232 4 -3 8 86.94 1.36 1.1205 3 -2 17 87.03 1.44 1.1196 3 2 15 87.06 1.40 1.1194 -1 -2 22 88.03 1.02 1.1094 1 -5 16 88.59 2.19 1.1039 0 -4 20 88.60 1.33 1.1038 4 0 13 88.84 1.65 1.1014 0 4 16 89.34 1.20 1.0966 3 -5 7 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.