Tarbagataite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern for R130041 Stepanov A V, Bekenova G K, Levin V L, Sokolova E, Hawthorne F C, Dobrovol'skaya E A The Canadian Mineralogist 50 (2012) 159-168 Tarbagataite, (K,_)2(Ca,Na)(Fe2+,Mn)7Ti2(Si4O12)2O2(OH)4(OH,F), a new astrophyllite-group mineral species from the Verkhnee Espe Deposit, Akjailyautas Mountains, Kazakhstan: Description and crystal structure Locality: Verkhnee Espe deposit, Akjailyautas Mountains, Kazakhstan _database_code_amcsd 0019039 CELL PARAMETERS: 5.3868 11.9141 11.7171 112.978 94.641 103.189 SPACE GROUP: P-1 ATOM X Y Z OCCUPANCY ISO(B) K 0.14530 0.28100 0.99490 0.380 2.542 Ca 0.50000 0.00000 0.00000 0.620 1.571 Na 0.50000 0.00000 0.00000 0.380 1.571 Na 0.12840 0.24700 0.00300 0.060 2.542 Mn 0.85010 0.20477 0.47800 0.700 0.876 Fe 0.85010 0.20477 0.47800 0.280 0.876 Fe 0.27798 0.06692 0.48669 0.540 0.900 Mn 0.27798 0.06692 0.48669 0.410 0.900 Fe 0.42099 0.35140 0.48311 0.570 0.932 Mn 0.42099 0.35140 0.48311 0.370 0.932 Mg 0.42099 0.35140 0.48311 0.040 0.932 Fe 0.00000 0.50000 0.50000 0.370 0.774 Mg 0.00000 0.50000 0.50000 0.100 0.774 Zr 0.00000 0.50000 0.50000 0.010 0.774 Zn 0.00000 0.50000 0.50000 0.010 0.774 Ti 0.07770 0.08463 0.19305 0.790 0.608 Nb 0.07770 0.08463 0.19305 0.150 0.608 Sn 0.07770 0.08463 0.19305 0.060 0.608 Rb 0.14530 0.28100 0.99490 0.090 2.542 Cs 0.14530 0.28100 0.99490 0.020 2.542 Si 0.68090 0.27333 0.23257 1.000 0.726 Si 0.81410 0.54771 0.25587 1.000 0.892 Si 0.37970 0.67619 0.25908 1.000 0.971 Si 0.50600 0.93184 0.23728 1.000 0.719 O 0.72800 0.31920 0.38440 1.000 0.947 O 0.14680 0.16010 0.36860 1.000 1.169 O 0.12770 0.39140 0.59190 1.000 1.011 O 0.55740 0.25720 0.58890 1.000 1.011 O 0.57300 0.01500 0.38920 1.000 1.098 O 0.07570 0.59230 0.20430 1.000 1.713 O 0.25150 0.03900 0.82780 1.000 2.361 O 0.42700 0.41200 0.79630 1.000 1.682 O 0.12500 0.80620 0.83090 1.000 2.463 O 0.26310 0.95660 0.17210 1.000 2.424 O 0.26880 0.60450 0.80400 1.000 1.603 O 0.57030 0.22090 0.79910 1.000 1.777 O 0.38800 0.18870 0.16700 1.000 2.250 O 0.29850 0.46480 0.40230 1.000 1.200 O 0.99280 0.11810 0.59210 1.000 1.358 H 0.25700 0.42300 0.31010 1.000 1.816 H 0.04600 0.16600 0.68380 1.000 2.053 OH 0.00000 0.00000 0.00000 0.650 1.492 F 0.00000 0.00000 0.00000 0.350 1.492 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: 26.46006753 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 8.35 100.00 10.5917 0 0 1 8.40 30.70 10.5202 0 1 0 9.01 13.26 9.8116 0 -1 1 15.24 1.43 5.8156 0 -1 2 15.33 11.83 5.7800 0 -2 1 20.17 3.97 4.4025 -1 -1 1 20.44 1.77 4.3457 -1 2 0 20.56 1.29 4.3202 1 0 1 20.58 4.01 4.3155 1 -2 1 21.80 1.23 4.0764 0 2 1 23.54 1.65 3.7787 -1 2 1 23.66 1.32 3.7599 1 -1 2 23.71 1.24 3.7530 0 -2 3 23.92 3.97 3.7199 1 -2 2 24.07 1.46 3.6969 -1 1 2 25.23 23.31 3.5306 0 0 3 25.29 7.34 3.5218 1 1 1 25.40 2.34 3.5067 0 3 0 25.44 1.26 3.5009 -1 -2 1 27.27 2.00 3.2705 0 -3 3 27.33 7.95 3.2638 -1 -1 3 28.51 1.15 3.1304 0 2 2 28.92 6.30 3.0868 -1 2 2 29.44 4.47 3.0335 1 -2 3 29.90 2.56 2.9888 0 1 3 30.03 1.13 2.9759 0 3 1 31.07 2.88 2.8783 1 -3 3 31.16 1.36 2.8699 0 -1 4 31.23 2.24 2.8644 1 1 2 31.73 1.88 2.8200 1 2 1 32.22 13.51 2.7783 1 -4 2 32.23 12.03 2.7772 -1 -3 1 32.68 1.06 2.7400 0 -3 4 33.72 12.68 2.6580 -2 1 1 33.85 8.78 2.6479 0 0 4 34.63 2.26 2.5901 -1 -2 4 34.79 15.53 2.5787 1 3 0 34.84 15.04 2.5749 1 -4 3 35.31 1.45 2.5416 -1 3 2 36.15 11.47 2.4850 -2 1 2 37.37 4.05 2.4064 -1 4 1 37.57 3.87 2.3942 -1 -3 4 38.98 1.86 2.3105 2 -1 2 39.16 4.45 2.3006 1 3 1 39.26 3.87 2.2946 1 -4 4 40.35 6.29 2.2351 -2 1 3 40.79 1.25 2.2120 2 -4 1 41.24 1.35 2.1891 -2 -2 1 42.67 2.12 2.1189 -1 4 2 42.68 1.94 2.1183 0 0 5 42.90 1.98 2.1080 -1 -3 5 44.21 3.97 2.0488 2 -1 3 44.89 2.00 2.0190 1 3 2 45.04 2.15 2.0127 1 -4 5 45.45 1.13 1.9955 -1 5 1 47.17 1.26 1.9267 0 -6 3 51.20 1.18 1.7840 1 -3 6 51.67 3.94 1.7691 1 3 3 51.85 3.81 1.7633 1 -4 6 52.30 1.02 1.7493 -2 -4 3 52.58 4.85 1.7405 -2 1 5 55.45 6.81 1.6571 0 -7 3 56.14 1.15 1.6384 0 -7 2 56.27 1.06 1.6349 -2 2 5 56.44 1.54 1.6302 -1 4 4 56.72 1.55 1.6229 -1 -3 7 57.85 1.52 1.5940 2 -1 5 58.40 4.86 1.5802 3 -5 1 58.52 4.79 1.5773 -3 -2 2 59.04 1.35 1.5645 -3 5 0 59.18 1.30 1.5612 3 -5 2 59.20 1.18 1.5608 -3 -2 3 59.25 1.43 1.5595 -3 -2 1 64.55 1.48 1.4437 -1 4 5 64.85 1.33 1.4378 -1 -3 8 65.91 1.54 1.4171 2 -1 6 66.39 1.43 1.4080 2 -8 2 66.59 1.61 1.4044 -2 -6 4 67.86 1.37 1.3811 2 -8 1 68.13 1.14 1.3762 -2 -6 5 70.17 1.87 1.3412 -4 2 0 71.73 1.50 1.3159 4 -2 1 73.19 1.02 1.2931 -4 2 3 79.69 1.10 1.2032 -2 8 2 83.72 1.30 1.1552 4 -2 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.