Kuzmenkoite-Mn Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070662 Rastsvetaeva R K, Chukanov N V, Pekov I V Crystallography Reports 45 (2000) 759-761 Refined crystal structure of kuzmenkoite Locality: Lovozero massif, Kola Peninsula, Russia CELL PARAMETERS: 14.3800 13.8550 7.8000 90.000 117.170 90.000 SPACE GROUP: Cm ATOM X Y Z OCCUPANCY ISO(B) K 0.09450 0.00000 0.33600 0.270 3.500 Ba 0.09450 0.00000 0.33600 0.030 3.500 K 0.57250 0.03930 0.28650 0.410 3.600 K 0.42750 0.05430 0.73100 0.210 3.300 Na 0.42750 0.05430 0.73100 0.090 3.300 K 0.51800 0.11200 0.02700 0.060 5.000 Ti 0.00000 0.23010 0.50000 0.900 1.220 Nb 0.00000 0.23010 0.50000 0.100 1.220 Ti 0.25100 0.25110 0.50280 0.800 1.020 Fe 0.25100 0.25110 0.50280 0.200 1.020 Mn -0.00240 0.00000 0.50170 0.560 1.250 Nb -0.00240 0.00000 0.50170 0.140 1.250 Si 0.18300 0.38920 0.75380 1.000 0.430 Si 0.81700 0.61090 0.24760 1.000 1.160 Si 0.29320 0.39060 0.19630 1.000 0.630 Si 0.70640 0.60990 0.80270 1.000 0.830 O 0.49700 0.34600 0.01100 0.325 5.100 H 0.49700 0.34600 0.01100 0.325 5.100 O 0.08350 0.32210 0.69180 1.000 1.500 O 0.23990 0.37170 0.62030 1.000 0.900 O 0.76960 0.67900 0.73040 1.000 1.500 O 0.41760 0.37910 0.32750 1.000 0.500 O 0.35630 0.00000 0.27240 1.000 0.700 O 0.26650 0.37230 0.97400 1.000 1.200 O 0.24090 0.00000 0.78600 1.000 1.300 O 0.91930 0.67940 0.31070 1.000 1.100 O 0.76170 0.62880 0.38320 1.000 1.300 O 0.22640 0.31920 0.26210 1.000 0.800 O 0.58160 0.62040 0.67100 1.000 1.800 O 0.14110 0.50000 0.73350 1.000 2.200 O 0.73240 0.63030 0.02440 1.000 1.500 O 0.25780 0.50000 0.21230 1.000 1.300 OH 0.09990 0.23060 0.60590 1.000 0.900 OH 0.09940 0.77220 0.39180 1.000 1.300 Wa 0.89600 0.00000 0.65600 0.800 2.700 Wa 0.49100 0.13900 -0.04800 0.500 9.300 Wa 0.97700 0.16200 0.98000 0.350 1.700 Wa 0.08500 0.00000 0.33300 0.700 3.100 Wa 0.53100 0.11900 0.12900 0.200 1.600 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 11 +/- 12 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 9.722103606 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 9.41 4.46 9.3992 1 1 0 12.76 98.46 6.9393 0 0 1 12.78 18.42 6.9275 0 2 0 13.07 14.50 6.7730 -1 1 1 13.84 39.64 6.3966 2 0 0 13.90 100.00 6.3716 -2 0 1 18.09 40.47 4.9027 0 2 1 18.26 5.13 4.8580 1 1 1 18.88 1.89 4.6996 2 2 0 18.92 2.21 4.6896 -2 2 1 19.87 3.43 4.4675 -3 1 1 21.81 4.20 4.0757 3 1 0 22.81 2.89 3.8990 2 0 1 22.91 15.18 3.8820 -2 0 2 24.77 3.66 3.5950 -4 0 1 25.43 1.45 3.5019 -3 1 2 25.68 3.21 3.4697 0 0 2 25.72 1.08 3.4637 0 4 0 26.23 4.86 3.3978 2 2 1 27.90 23.76 3.1983 4 0 0 27.96 35.04 3.1909 -4 2 1 28.01 31.75 3.1858 -4 0 2 28.78 24.78 3.1023 0 2 2 28.81 43.08 3.0991 0 4 1 29.32 22.85 3.0459 2 4 0 29.35 9.13 3.0432 -2 4 1 29.88 5.59 2.9904 3 1 1 30.30 14.50 2.9493 1 1 2 30.79 7.90 2.9038 4 2 0 30.89 8.23 2.8944 -4 2 2 31.93 3.23 2.8029 -5 1 1 33.08 1.81 2.7082 1 5 0 34.36 3.06 2.6098 -1 5 1 34.58 3.32 2.5936 2 0 2 34.64 12.17 2.5895 2 4 1 34.70 4.58 2.5853 -2 0 3 34.71 2.41 2.5845 -2 4 2 35.28 1.65 2.5440 -3 1 3 35.88 5.93 2.5025 4 0 1 36.01 17.80 2.4943 -4 4 1 36.06 17.12 2.4906 -4 0 3 36.66 14.08 2.4513 0 4 2 36.95 1.62 2.4328 -5 3 1 37.01 1.93 2.4290 2 2 2 37.64 5.11 2.3896 -3 5 1 38.75 2.29 2.3235 3 5 0 40.21 4.37 2.2426 -1 5 2 40.32 2.11 2.2370 -6 2 1 41.14 1.19 2.1940 0 2 3 41.20 1.96 2.1910 0 6 1 41.58 1.16 2.1720 2 6 0 42.39 2.71 2.1322 6 0 0 42.57 2.73 2.1239 -6 0 3 43.41 3.11 2.0844 5 1 1 43.69 1.78 2.0718 -2 4 3 44.07 5.06 2.0548 3 5 1 44.38 1.75 2.0413 1 5 2 44.67 2.28 2.0285 4 4 1 44.73 1.04 2.0259 -7 1 2 44.82 5.02 2.0221 -4 4 3 45.57 1.27 1.9908 -5 5 1 46.52 1.25 1.9524 -6 4 1 46.57 1.84 1.9502 -6 4 2 46.59 1.51 1.9495 4 0 2 46.80 1.12 1.9410 -4 0 4 47.25 4.42 1.9236 0 4 3 47.29 1.60 1.9223 0 6 2 47.73 1.86 1.9053 -7 1 3 48.11 2.35 1.8914 -3 5 3 48.70 1.07 1.8697 -4 6 2 48.72 1.76 1.8690 -4 2 4 50.17 1.32 1.8183 6 0 1 50.43 3.91 1.8097 -6 0 4 50.79 6.90 1.7975 -8 0 2 52.57 4.22 1.7407 3 5 2 52.77 4.31 1.7348 0 0 4 52.86 7.10 1.7319 0 8 0 53.97 4.19 1.6989 4 4 2 54.03 3.40 1.6971 4 6 1 54.16 3.12 1.6933 -4 6 3 54.17 9.54 1.6933 -4 4 4 54.61 1.08 1.6805 1 5 3 54.62 1.36 1.6803 0 8 1 54.92 1.68 1.6717 2 8 0 54.94 1.67 1.6712 -2 8 1 55.69 2.85 1.6504 -6 6 2 56.29 2.99 1.6342 0 6 3 57.22 1.69 1.6100 6 4 1 57.45 1.30 1.6040 -6 4 4 57.88 2.69 1.5930 -3 5 4 59.10 1.38 1.5632 -6 6 3 59.12 1.06 1.5627 -5 5 4 59.31 1.22 1.5582 8 2 0 59.39 5.42 1.5563 -8 4 1 59.51 3.05 1.5534 -8 4 3 59.55 2.10 1.5524 -8 2 4 60.58 1.91 1.5284 1 9 0 60.65 1.16 1.5269 4 2 3 60.70 1.93 1.5257 7 5 0 60.82 1.81 1.5229 4 8 0 60.88 2.48 1.5216 -4 8 2 60.89 2.30 1.5214 -4 2 5 61.57 1.41 1.5063 -2 0 5 62.98 1.87 1.4758 1 9 1 64.14 3.50 1.4519 8 4 0 64.38 3.04 1.4472 -8 4 4 65.43 4.03 1.4265 4 4 3 65.55 2.36 1.4241 4 8 1 65.66 5.01 1.4220 -4 4 5 65.66 3.25 1.4219 -4 8 3 65.85 1.41 1.4184 -8 6 2 65.97 1.06 1.4160 -8 0 5 66.00 2.34 1.4154 5 1 3 66.07 1.03 1.4140 9 1 0 67.25 1.13 1.3922 3 1 4 67.77 1.40 1.3827 -9 5 2 69.38 1.56 1.3546 -5 5 5 69.42 1.74 1.3539 -2 10 1 69.98 1.51 1.3443 -9 5 1 71.31 1.13 1.3226 -10 4 2 72.95 1.88 1.2968 4 0 4 73.22 1.10 1.2926 -4 0 6 73.51 1.85 1.2883 0 4 5 73.62 1.77 1.2867 0 10 2 74.20 1.04 1.2780 -10 4 1 74.40 1.20 1.2750 -10 4 4 76.07 1.27 1.2513 8 0 2 76.07 1.05 1.2512 -6 8 4 76.36 1.57 1.2472 -8 8 2 77.58 1.09 1.2305 -7 9 2 78.22 1.20 1.2221 2 10 2 78.62 1.04 1.2170 -3 11 1 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.