Kupletskite-(Cs) Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R060929 Camara F, Sokolova E, Abdu Y, Hawthorne F C The Canadian Mineralogist 48 (2010) 1-16 The crystal structures of niobophyllite, kupletskite-(Cs) and Sn-rich astrophyllite: Revisions to the crystal chemistry of the astrophyllite-group minerals Locality: Dara-i-Pioz glacier, Tien-Shan mountains, northern Tajikistan _database_code_amcsd 0006310 CELL PARAMETERS: 5.3870 11.9300 11.7930 113.170 94.680 102.970 SPACE GROUP: P-1 ATOM X Y Z OCCUPANCY ISO(B) Cs 0.15101 0.29883 0.99834 0.710 1.714 K 0.15101 0.29883 0.99834 0.060 1.714 K 0.11230 0.21820 0.99760 0.120 1.714 Ca 0.11230 0.21820 0.99760 0.040 1.714 Pb 0.11230 0.21820 0.99760 0.030 1.714 Na 0.11230 0.21820 0.99760 0.030 1.714 Sr 0.11230 0.21820 0.99760 0.010 1.714 Na 0.50000 0.00000 0.00000 0.730 1.082 Ca 0.50000 0.00000 0.00000 0.270 1.082 Mn 0.84929 0.20464 0.47646 0.840 0.790 Li 0.84929 0.20464 0.47646 0.160 0.790 Fe 0.27839 0.06637 0.48642 0.580 0.880 Mn 0.27839 0.06637 0.48642 0.380 0.880 Li 0.27839 0.06637 0.48642 0.040 0.880 Mn 0.42056 0.35069 0.48188 0.650 0.873 Fe 0.42056 0.35069 0.48188 0.180 0.873 Fe 0.42056 0.35069 0.48188 0.070 0.873 Li 0.42056 0.35069 0.48188 0.100 0.873 Zn 0.00000 0.50000 0.50000 0.500 0.790 Fe 0.00000 0.50000 0.50000 0.320 0.790 Mg 0.00000 0.50000 0.50000 0.110 0.790 Li 0.00000 0.50000 0.50000 0.070 0.790 Ti 0.07679 0.08356 0.19345 0.770 0.674 Nb 0.07679 0.08356 0.19345 0.230 0.674 Si 0.67902 0.27225 0.23299 0.990 0.672 Al 0.67902 0.27225 0.23299 0.010 0.672 Si 0.81517 0.54765 0.25821 0.990 0.613 Al 0.81517 0.54765 0.25821 0.010 0.613 Si 0.38069 0.67665 0.26053 0.990 0.583 Al 0.38069 0.67665 0.26053 0.010 0.583 Si 0.50596 0.93100 0.23615 0.990 0.625 Al 0.50596 0.93100 0.23615 0.010 0.625 O 0.72700 0.31830 0.38340 1.000 0.940 O 0.14440 0.15700 0.36580 1.000 0.892 O 0.12710 0.39100 0.59100 1.000 0.845 Oh 0.29680 0.46310 0.39990 1.000 1.121 Oh 0.99140 0.11870 0.59260 1.000 1.058 O 0.55640 0.25650 0.58810 1.000 0.797 O 0.57340 0.01330 0.38730 1.000 0.884 O 0.07570 0.59098 0.20490 1.000 1.003 O 0.25030 0.04240 0.82920 1.000 1.445 O 0.42650 0.41291 0.79553 1.000 0.979 O 0.12690 0.80710 0.83090 1.000 1.421 O 0.26280 0.95490 0.17110 1.000 1.445 O 0.26760 0.60582 0.80379 1.000 1.145 O 0.57270 0.22182 0.80030 1.000 1.176 O 0.38540 0.18970 0.16800 1.000 1.390 OH 0.00000 0.00000 0.00000 0.290 1.516 F 0.00000 0.00000 0.00000 0.710 1.516 H 0.25100 0.41600 0.30820 1.000 1.348 H 1.02600 0.15900 0.68520 1.000 1.274 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 4 +/- 9 +/- 9 MAX. ABS. INTENSITY / VOLUME**2: 6.419369992 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 8.31 100.00 10.6450 0 0 1 8.40 42.09 10.5291 0 1 0 8.97 34.26 9.8630 0 -1 1 16.66 21.57 5.3225 0 0 2 16.84 1.03 5.2645 0 2 0 16.90 4.44 5.2455 -1 1 0 17.20 7.68 5.1543 1 0 0 17.64 7.06 5.0282 -1 0 1 17.99 6.91 4.9315 0 -2 2 18.72 13.77 4.7396 1 -1 1 19.00 17.03 4.6717 -1 1 1 20.12 3.42 4.4140 -1 -1 1 20.52 15.46 4.3283 1 0 1 21.21 5.48 4.1893 1 1 0 21.61 17.62 4.1129 -1 0 2 21.78 40.86 4.0812 0 2 1 22.37 24.43 3.9739 -1 -1 2 22.80 1.61 3.9000 0 -1 3 23.08 2.18 3.8544 0 -3 1 23.56 36.21 3.7766 0 -2 3 23.56 41.12 3.7762 -1 2 1 23.60 14.26 3.7706 1 -1 2 23.72 4.74 3.7506 0 -3 2 23.87 33.61 3.7281 1 -2 2 24.04 14.07 3.7025 -1 1 2 25.10 45.93 3.5483 0 0 3 25.23 50.16 3.5293 1 1 1 25.33 2.41 3.5156 1 -3 1 25.37 2.86 3.5106 -1 -2 1 25.38 18.57 3.5097 0 3 0 26.25 10.65 3.3949 1 0 2 27.12 27.43 3.2877 0 -3 3 27.19 51.22 3.2797 -1 -1 3 27.69 4.17 3.2220 -1 0 3 28.46 11.77 3.1366 0 2 2 28.91 41.50 3.0887 -1 2 2 29.33 51.92 3.0449 1 -2 3 29.78 11.89 2.9996 0 1 3 29.97 2.43 2.9817 -1 3 1 30.00 17.49 2.9787 0 3 1 30.15 1.48 2.9642 1 -1 3 30.55 6.42 2.9266 0 -2 4 30.68 2.22 2.9145 -1 1 3 30.86 4.58 2.8976 0 -4 2 30.97 9.85 2.8874 1 -3 3 30.97 11.13 2.8873 0 -1 4 31.14 31.98 2.8720 1 1 2 31.36 3.16 2.8526 0 -4 1 31.66 10.11 2.8259 1 2 1 31.74 8.63 2.8187 -1 -3 2 31.78 8.91 2.8153 1 -4 1 32.15 80.88 2.7843 -1 -3 1 32.19 83.69 2.7811 1 -4 2 32.48 9.11 2.7566 0 -3 4 32.65 1.76 2.7424 0 -4 3 33.40 9.79 2.6827 -2 1 0 33.56 18.11 2.6701 -1 -1 4 33.58 6.28 2.6690 -1 -3 3 33.62 5.82 2.6660 -1 4 0 33.68 64.33 2.6613 0 0 4 33.72 84.22 2.6583 -2 1 1 34.06 1.73 2.6323 0 4 0 34.43 7.55 2.6048 -1 -2 4 34.72 40.93 2.5839 1 3 0 34.75 39.80 2.5814 1 -4 3 35.22 8.67 2.5480 2 -1 1 35.31 7.64 2.5422 -1 3 2 35.59 7.00 2.5225 -1 2 3 36.03 2.46 2.4930 0 2 3 36.09 3.39 2.4890 1 -2 4 36.12 26.28 2.4866 -2 1 2 36.14 2.55 2.4855 0 3 2 36.80 1.34 2.4423 -2 -1 1 37.04 1.53 2.4268 2 -3 1 37.05 2.75 2.4265 -2 3 0 37.35 6.46 2.4074 -1 -3 4 37.38 2.27 2.4061 -2 -1 2 37.39 6.70 2.4052 -1 4 1 38.16 1.32 2.3581 1 1 3 38.21 2.71 2.3556 2 1 0 38.54 1.47 2.3358 -2 2 2 38.56 1.01 2.3350 0 4 1 38.75 1.67 2.3240 0 -5 2 38.92 1.23 2.3139 2 -1 2 38.99 2.80 2.3100 2 -3 2 39.00 1.41 2.3092 -2 3 1 39.08 32.62 2.3050 1 3 1 39.09 1.48 2.3043 0 -3 5 39.11 30.32 2.3033 1 -4 4 39.11 2.19 2.3032 -2 0 3 39.43 1.54 2.2854 0 -5 3 39.86 1.43 2.2618 -2 -1 3 39.97 2.26 2.2559 0 -5 1 40.29 45.46 2.2384 -2 1 3 40.83 8.96 2.2101 2 -4 1 40.89 10.75 2.2070 -2 -2 2 41.15 9.27 2.1938 -2 -2 1 41.42 1.01 2.1799 2 1 1 41.62 7.65 2.1701 -2 4 0 41.74 1.54 2.1641 2 0 2 41.75 1.38 2.1635 0 -4 5 41.87 7.43 2.1578 2 -4 2 41.93 4.05 2.1547 0 -5 4 42.44 4.49 2.1297 -2 -2 3 42.46 17.61 2.1290 0 0 5 42.48 1.36 2.1278 2 -2 3 42.63 17.78 2.1207 -1 -3 5 42.67 18.36 2.1191 -1 4 2 42.69 1.97 2.1182 -2 3 2 42.72 3.21 2.1165 1 4 0 42.95 2.17 2.1058 0 5 0 43.19 2.38 2.0946 2 2 0 43.31 4.56 2.0892 1 -5 4 43.35 1.77 2.0871 1 -3 5 43.97 1.21 2.0591 -2 -1 4 44.10 30.23 2.0535 2 -1 3 44.37 1.14 2.0416 1 2 3 44.39 1.96 2.0406 0 4 2 44.80 3.07 2.0232 1 3 2 44.82 3.27 2.0221 1 -4 5 45.47 5.82 1.9948 -1 5 1 45.91 3.97 1.9768 -2 -3 2 46.08 4.14 1.9698 2 -5 1 46.10 6.06 1.9688 -1 -4 5 46.13 1.16 1.9676 2 1 2 46.31 3.23 1.9605 2 -5 2 46.32 2.00 1.9603 -1 1 5 46.62 2.79 1.9480 -2 -3 3 46.85 2.21 1.9391 -2 -3 1 46.99 1.14 1.9336 0 1 5 47.04 6.05 1.9317 0 -6 3 47.16 1.05 1.9272 1 4 1 47.16 3.89 1.9272 0 -6 2 47.30 1.07 1.9216 1 -6 1 47.50 1.42 1.9143 -2 5 0 47.87 1.47 1.9001 -1 -5 4 48.19 1.72 1.8883 0 -4 6 48.85 1.45 1.8642 1 -6 4 49.31 1.96 1.8480 1 0 5 49.99 1.81 1.8243 -1 6 0 50.41 1.15 1.8102 2 -1 4 50.91 4.06 1.7936 1 -3 6 50.98 1.65 1.7913 -1 -5 5 51.11 2.68 1.7870 0 3 4 51.18 2.23 1.7850 -1 0 6 51.23 1.58 1.7831 0 4 3 51.25 2.96 1.7825 1 5 0 51.51 7.59 1.7742 0 0 6 51.54 23.61 1.7732 1 3 3 51.56 23.26 1.7725 1 -4 6 52.03 2.39 1.7578 2 -6 2 52.03 3.65 1.7576 1 2 4 52.10 1.19 1.7553 -2 -4 2 52.35 1.12 1.7477 3 -2 1 52.42 29.36 1.7454 -2 1 5 52.46 2.07 1.7443 1 -6 5 52.82 2.69 1.7332 1 4 2 53.17 1.38 1.7225 -3 2 2 53.32 1.31 1.7181 3 0 0 53.33 1.36 1.7179 3 -1 1 53.61 2.51 1.7095 -2 -4 1 53.62 1.76 1.7093 -2 -4 4 53.74 2.82 1.7056 1 -5 6 53.98 1.83 1.6988 -2 3 4 54.08 1.62 1.6957 -1 6 1 54.28 2.77 1.6900 1 -1 6 54.39 3.80 1.6868 -2 6 0 54.66 4.41 1.6790 0 -3 7 54.77 6.11 1.6761 -3 0 3 54.79 1.05 1.6754 -1 -6 4 54.93 2.50 1.6714 -1 1 6 54.98 5.91 1.6702 3 -3 2 55.31 34.10 1.6608 0 -7 3 55.47 1.08 1.6565 1 -7 4 55.51 1.34 1.6554 0 -4 7 55.63 6.11 1.6523 -3 3 2 55.63 4.71 1.6520 2 -6 4 55.79 6.37 1.6477 3 0 1 55.89 1.30 1.6449 -2 -1 6 55.95 1.93 1.6436 1 -7 1 56.04 2.43 1.6410 0 -7 4 56.04 2.82 1.6409 0 -7 2 56.08 1.14 1.6398 -2 -2 6 56.10 1.64 1.6393 0 1 6 56.13 2.78 1.6385 -1 -2 7 56.14 2.89 1.6384 -2 2 5 56.33 10.58 1.6331 -1 -3 7 56.36 10.66 1.6324 -1 4 4 56.54 4.64 1.6277 2 4 0 56.55 5.89 1.6273 -2 -4 5 56.81 1.46 1.6205 -1 -6 1 57.02 1.40 1.6151 -1 -6 5 57.18 2.36 1.6110 -2 0 6 57.35 1.87 1.6066 -1 3 5 57.63 10.95 1.5995 2 -1 5 57.71 3.86 1.5975 -2 6 1 57.90 1.94 1.5927 2 2 3 58.11 2.56 1.5875 1 0 6 58.12 3.14 1.5871 -3 0 4 58.19 1.37 1.5855 1 -7 5 58.19 2.84 1.5854 0 -7 5 58.19 2.81 1.5854 0 -7 1 58.39 27.01 1.5805 -3 -2 2 58.41 3.01 1.5799 3 -3 3 58.46 26.90 1.5787 3 -5 1 58.66 1.80 1.5738 -2 -5 3 58.77 1.99 1.5711 2 -7 2 58.89 1.28 1.5683 0 4 4 58.92 1.44 1.5675 2 1 4 59.05 2.54 1.5645 -3 -2 3 59.11 1.43 1.5629 1 3 4 59.12 2.73 1.5627 -3 5 0 59.13 1.17 1.5624 1 -4 7 59.14 3.04 1.5623 -3 -2 1 59.21 2.85 1.5605 3 -5 2 59.35 1.90 1.5572 -3 3 3 59.49 1.30 1.5538 1 4 3 59.50 2.19 1.5537 2 -6 5 59.58 2.28 1.5518 0 3 5 59.60 1.90 1.5513 3 0 2 59.89 2.78 1.5444 -2 4 4 60.08 1.05 1.5400 -1 0 7 60.54 1.67 1.5293 1 -5 7 60.57 2.61 1.5286 1 -2 7 60.84 4.36 1.5225 2 -4 6 61.08 2.04 1.5171 -3 -2 4 61.15 2.00 1.5155 -3 5 1 61.26 2.06 1.5131 3 2 0 61.33 2.00 1.5116 3 -5 3 61.46 2.88 1.5086 0 -6 7 61.53 1.96 1.5070 2 0 5 61.66 1.27 1.5042 0 -7 6 61.66 1.13 1.5042 0 7 0 62.34 3.08 1.4894 0 6 2 62.68 1.63 1.4821 2 -2 6 62.87 4.27 1.4782 -2 -2 7 63.17 1.99 1.4720 1 1 6 64.30 2.56 1.4488 -1 5 4 64.39 3.28 1.4469 -1 -3 8 64.42 3.50 1.4463 -1 4 5 64.77 1.42 1.4394 2 3 3 64.78 2.68 1.4392 -1 -2 8 64.94 4.20 1.4360 2 2 4 65.14 1.64 1.4320 0 -5 8 65.37 2.43 1.4276 -1 -4 8 65.63 3.59 1.4225 2 -1 6 65.65 1.99 1.4222 0 1 7 66.09 3.58 1.4138 -1 3 6 66.32 8.22 1.4094 -2 -6 4 66.34 3.70 1.4090 0 -7 7 66.35 4.25 1.4089 0 7 1 66.41 8.06 1.4076 2 -8 2 66.51 2.95 1.4059 -1 -1 8 66.82 1.37 1.4002 -2 5 4 67.05 2.64 1.3958 0 -1 8 67.19 3.57 1.3933 -2 4 5 67.34 1.04 1.3905 2 -8 4 67.40 1.33 1.3894 0 5 4 67.82 3.96 1.3819 -2 -6 5 67.91 4.30 1.3803 2 -8 1 68.26 3.00 1.3740 2 -4 7 68.82 1.21 1.3642 2 -5 7 68.96 4.51 1.3618 -3 -2 6 69.03 4.77 1.3606 -3 5 3 69.23 1.71 1.3570 -1 2 7 69.29 4.83 1.3561 3 2 2 69.36 4.74 1.3550 3 -5 5 69.65 1.48 1.3500 -2 -6 1 69.73 1.48 1.3485 2 -8 5 69.83 2.06 1.3469 2 0 6 69.89 4.03 1.3458 -4 2 1 70.16 11.80 1.3414 -4 2 0 70.54 2.60 1.3350 -2 -2 8 70.57 2.63 1.3345 -2 -6 6 70.64 1.07 1.3335 -3 6 2 70.67 2.80 1.3330 -2 8 0 70.81 3.30 1.3306 0 0 8 70.83 1.20 1.3303 3 3 1 70.90 1.37 1.3291 -4 2 2 70.92 1.35 1.3289 -2 -3 8 71.09 2.64 1.3261 2 -2 7 71.18 1.32 1.3246 -3 -3 6 71.50 1.31 1.3194 0 2 7 71.56 1.15 1.3186 3 -6 5 71.70 3.91 1.3163 4 -2 1 71.71 1.89 1.3161 0 8 0 71.97 1.13 1.3120 2 3 4 72.34 2.02 1.3063 0 -8 7 72.39 1.37 1.3055 -1 5 5 72.50 1.38 1.3037 1 -9 2 72.63 1.09 1.3017 1 -9 5 73.12 1.26 1.2942 -3 2 6 73.17 2.49 1.2935 -4 2 3 73.18 2.04 1.2932 -1 -8 2 73.20 3.40 1.2930 -1 -3 9 73.22 3.74 1.2926 -1 4 6 73.27 2.59 1.2920 2 6 0 73.35 2.23 1.2907 2 -8 6 73.57 1.34 1.2874 3 -1 5 73.58 2.13 1.2873 -1 -4 9 74.08 2.09 1.2798 -1 -8 6 74.12 2.00 1.2792 -2 -7 4 74.19 1.88 1.2782 2 -9 3 74.29 1.30 1.2767 -2 5 5 74.41 3.97 1.2750 2 -1 7 74.48 1.10 1.2740 4 -2 2 74.97 1.91 1.2669 1 -9 1 75.18 2.30 1.2638 1 -9 6 75.51 2.18 1.2591 -2 -5 8 76.08 1.51 1.2511 -1 -8 1 76.50 1.99 1.2452 -2 7 3 76.64 1.78 1.2433 -4 2 4 77.60 1.12 1.2303 1 6 3 79.65 5.12 1.2037 -2 -6 8 79.74 5.65 1.2026 -2 8 2 80.32 1.40 1.1954 2 -7 8 81.27 1.04 1.1838 2 5 3 83.57 7.78 1.1570 4 -2 4 83.96 3.00 1.1525 2 6 2 84.04 2.90 1.1516 2 -8 8 84.36 1.05 1.1482 -2 9 1 84.73 1.29 1.1441 1 4 6 84.97 1.28 1.1414 -2 -7 8 87.01 1.64 1.1198 -2 1 9 87.07 4.79 1.1192 -4 2 6 89.83 1.04 1.0919 -3 -1 9 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.