Tinzenite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R110064 Belokoneva E L, Goryunova A N, Pletnev P A, Spiridonov E M Crystallography Reports 46 (2001) 30-32 Crystal structure of high-manganese tinzenite from the Falotta deposit in Switzerland Locality: Falotta deposit, Switzerland _database_code_amcsd 0012369 CELL PARAMETERS: 7.1540 9.1190 8.9410 92.090 98.660 76.890 SPACE GROUP: P-1 ATOM X Y Z OCCUPANCY ISO(B) Ca 0.74863 0.34796 0.39567 0.925 0.790 Mn 0.74863 0.34796 0.39567 0.075 0.790 Ca 0.18243 0.09821 0.08194 0.495 0.765 Mn 0.18243 0.09821 0.08194 0.505 0.765 Mn 0.76444 0.59653 0.10811 0.880 0.761 Mg 0.76444 0.59653 0.10811 0.030 0.761 Fe 0.76444 0.59653 0.10811 0.090 0.761 Al 0.05050 0.80208 0.25116 0.900 0.510 Fe 0.05050 0.80208 0.25116 0.100 0.510 Al 0.35010 0.93754 0.41979 0.980 0.500 Fe 0.35010 0.93754 0.41979 0.020 0.500 Si 0.21060 0.44713 0.23749 1.000 0.480 Si 0.21960 0.27535 0.52642 1.000 0.420 Si 0.70660 0.25565 0.01412 1.000 0.490 Si 0.63760 0.02065 0.22794 1.000 0.460 B 0.45940 0.63340 0.28530 1.000 0.460 O 0.05890 0.60290 0.18600 1.000 0.630 O 0.22960 0.32880 0.10400 1.000 0.940 O 0.42030 0.48410 0.31300 1.000 0.670 O 0.13200 0.37960 0.37680 1.000 0.890 O 0.02400 0.24080 0.56690 1.000 0.660 O 0.32870 0.37900 0.64950 1.000 0.580 O 0.38150 0.12790 0.49680 1.000 0.570 O 0.54500 0.34550 0.87890 1.000 0.600 O 0.88450 0.14980 0.93940 1.000 0.680 O 0.77520 0.36740 0.14100 1.000 0.840 O 0.60380 0.13820 0.08770 1.000 0.940 O 0.43020 0.98490 0.23940 1.000 0.730 O 0.72020 0.09810 0.38410 1.000 0.590 O 0.78830 0.87330 0.17290 1.000 0.710 O 0.32350 0.74680 0.35330 1.000 0.550 OH 0.09360 0.99850 0.32050 1.000 0.630 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 6 +/- 8 +/- 8 MAX. ABS. INTENSITY / VOLUME**2: 7.584295349 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 10.01 6.61 8.8390 0 0 1 14.12 15.29 6.2726 0 -1 1 14.15 9.57 6.2575 0 1 1 14.39 2.90 6.1537 1 1 0 15.10 1.72 5.8673 -1 0 1 17.43 3.53 5.0867 1 0 1 18.63 1.14 4.7637 1 1 1 19.67 11.50 4.5126 -1 1 1 22.45 2.16 3.9605 0 -1 2 22.49 1.12 3.9529 0 1 2 24.35 10.01 3.6553 1 2 1 25.63 4.21 3.4759 -1 1 2 25.85 64.74 3.4463 2 0 0 26.04 3.80 3.4225 -2 -1 1 26.19 15.54 3.4021 -1 2 0 26.35 1.49 3.3826 -2 0 1 27.42 14.34 3.2526 -1 2 1 28.53 68.31 3.1288 0 2 2 29.16 13.62 3.0629 2 0 1 29.84 21.14 2.9946 -2 1 0 30.07 22.87 2.9723 1 3 0 30.19 9.25 2.9604 0 3 0 30.28 16.42 2.9518 -2 1 1 30.47 1.85 2.9336 -2 0 2 30.73 3.22 2.9091 1 2 2 31.11 36.49 2.8747 -1 -3 1 31.22 6.89 2.8648 -1 0 3 31.89 100.00 2.8059 -1 -1 3 31.90 7.62 2.8051 0 3 1 31.98 1.90 2.7985 0 -1 3 32.03 1.65 2.7945 0 1 3 32.04 8.00 2.7935 2 2 1 32.40 16.69 2.7632 1 3 1 32.76 5.52 2.7333 2 -1 1 33.78 6.47 2.6535 -1 1 3 33.98 5.02 2.6386 -2 1 2 34.38 6.82 2.6086 1 -2 2 34.82 2.02 2.5765 1 0 3 35.07 11.50 2.5586 2 1 2 35.26 11.38 2.5451 2 3 0 35.29 16.51 2.5434 2 0 2 35.58 1.50 2.5229 -1 3 0 35.64 3.78 2.5194 -1 -2 3 36.49 3.65 2.4623 0 -3 2 36.56 1.63 2.4578 0 -2 3 36.57 2.15 2.4569 0 3 2 36.64 3.25 2.4524 0 2 3 37.12 14.80 2.4221 1 -1 3 37.56 2.32 2.3949 1 3 2 37.57 18.76 2.3937 1 -3 1 37.77 3.83 2.3818 2 2 2 38.02 1.61 2.3669 -3 -1 1 38.20 8.48 2.3560 3 1 0 39.04 1.15 2.3073 -3 0 1 39.77 1.37 2.2668 1 4 0 39.96 2.84 2.2563 -2 2 2 40.24 3.69 2.2413 -1 3 2 40.59 2.59 2.2226 -3 -1 2 40.63 4.92 2.2203 0 4 0 40.84 2.66 2.2098 0 0 4 41.03 2.31 2.1998 -1 0 4 41.11 4.68 2.1957 3 1 1 41.63 21.48 2.1695 1 4 1 41.98 7.91 2.1522 0 4 1 42.06 23.78 2.1485 3 0 1 42.11 5.93 2.1456 0 -1 4 42.65 5.16 2.1198 -3 1 1 42.75 2.24 2.1150 3 2 1 43.98 10.83 2.0590 -3 -3 1 44.15 2.71 2.0512 3 3 0 44.60 4.11 2.0319 -1 -2 4 44.87 1.86 2.0202 1 0 4 44.92 2.67 2.0179 -2 3 1 45.02 2.30 2.0138 -3 1 2 45.19 6.50 2.0065 -2 -1 4 45.34 1.95 2.0000 2 2 3 45.40 11.96 1.9976 -2 0 4 45.41 3.45 1.9974 1 1 4 45.46 6.57 1.9952 3 -1 1 45.53 14.80 1.9922 -3 -1 3 45.65 3.00 1.9874 -1 4 0 45.78 5.23 1.9821 0 4 2 45.82 2.38 1.9802 0 -2 4 45.92 4.29 1.9765 0 2 4 46.27 1.28 1.9623 -3 -3 2 46.43 5.62 1.9558 -3 0 3 46.77 3.76 1.9424 3 3 1 47.65 6.38 1.9084 -2 3 2 48.71 2.42 1.8694 1 -3 3 50.30 1.89 1.8139 3 -1 2 51.14 3.60 1.7861 1 -4 2 51.20 10.40 1.7842 -2 -4 3 51.48 2.97 1.7753 0 -4 3 51.55 1.54 1.7729 0 -3 4 51.68 1.69 1.7688 0 3 4 51.71 1.52 1.7677 -2 -3 4 52.50 1.64 1.7430 -2 3 3 52.65 1.09 1.7386 -2 -5 1 52.74 1.82 1.7358 3 4 1 52.82 2.50 1.7333 -4 -1 2 53.15 1.17 1.7232 4 0 0 53.20 4.56 1.7217 -1 1 5 53.63 2.18 1.7090 -1 -5 2 53.90 6.91 1.7010 -2 4 0 54.21 4.78 1.6920 2 2 4 54.32 1.27 1.6887 2 5 1 54.64 3.45 1.6797 2 -1 4 55.05 2.98 1.6682 -2 -5 2 55.19 3.51 1.6642 4 2 1 55.34 1.46 1.6602 1 5 2 55.36 1.53 1.6597 4 3 0 55.83 8.87 1.6468 0 5 2 55.99 2.91 1.6424 1 1 5 56.19 6.63 1.6369 2 4 3 56.40 4.45 1.6314 -3 -4 3 56.65 13.26 1.6249 -4 1 0 56.78 1.08 1.6214 1 -3 4 56.93 2.46 1.6174 3 -1 3 56.98 1.13 1.6161 -1 5 1 57.13 10.54 1.6122 1 -1 5 57.15 1.16 1.6118 3 4 2 57.25 2.56 1.6092 -4 -2 3 57.87 9.02 1.5933 -2 -4 4 58.08 3.70 1.5882 3 -3 1 58.09 1.43 1.5879 3 5 0 58.28 1.06 1.5832 2 5 2 58.50 1.93 1.5778 1 2 5 58.89 10.32 1.5681 0 -4 4 58.91 1.75 1.5677 2 -2 4 59.05 3.39 1.5644 0 4 4 59.15 2.36 1.5619 4 1 2 59.70 2.86 1.5489 -1 5 2 60.27 1.36 1.5356 3 5 1 60.83 2.82 1.5228 0 -5 3 60.88 2.05 1.5216 1 5 3 60.97 2.20 1.5196 0 5 3 60.98 1.78 1.5194 0 -3 5 61.11 1.61 1.5165 -4 -4 2 61.31 1.02 1.5120 -3 0 5 61.66 2.58 1.5042 -3 3 3 61.67 4.53 1.5040 3 -2 3 61.98 2.89 1.4973 -4 2 0 62.49 1.73 1.4862 2 6 0 62.51 4.62 1.4858 4 3 2 62.59 4.61 1.4841 -1 3 5 62.71 1.38 1.4815 -2 -6 1 63.11 2.36 1.4732 0 0 6 63.32 3.22 1.4687 3 4 3 63.41 1.90 1.4668 -4 0 4 63.72 1.45 1.4605 0 -6 1 63.99 4.49 1.4550 -3 1 5 64.10 2.04 1.4528 0 1 6 64.14 2.54 1.4520 -2 5 0 64.23 1.86 1.4501 2 6 1 64.29 1.45 1.4490 -1 5 3 64.36 2.28 1.4476 3 5 2 64.52 2.98 1.4443 -4 -4 3 64.58 2.64 1.4432 -3 4 0 65.12 1.87 1.4324 -2 0 6 65.34 4.32 1.4281 -4 -3 4 65.50 2.70 1.4251 -5 -2 1 66.58 1.90 1.4046 0 -6 2 66.59 3.33 1.4043 3 -4 1 66.61 1.37 1.4039 4 5 0 66.67 3.52 1.4029 -2 -2 6 66.86 1.87 1.3992 0 -2 6 67.00 5.71 1.3967 4 4 2 67.03 1.21 1.3962 -2 4 4 67.48 1.07 1.3879 -1 2 6 67.51 1.12 1.3874 -4 -5 2 67.65 1.97 1.3849 -1 6 0 68.53 1.87 1.3693 -5 -3 2 69.00 1.17 1.3610 1 4 5 69.06 1.61 1.3600 5 2 1 69.20 1.04 1.3576 -3 -5 4 69.77 5.77 1.3479 -1 4 5 69.88 2.33 1.3461 -4 3 2 70.21 1.86 1.3405 -2 -3 6 70.59 1.79 1.3343 -2 5 3 70.73 1.17 1.3319 -1 6 2 71.15 10.47 1.3252 -5 0 3 71.56 1.02 1.3185 1 -2 6 72.01 1.76 1.3115 3 0 5 72.26 1.01 1.3075 -3 -6 3 72.46 1.39 1.3043 2 -4 4 72.54 3.37 1.3032 3 2 5 73.61 1.46 1.2869 1 3 6 74.39 3.34 1.2753 -3 5 1 74.57 1.55 1.2727 2 -5 3 74.58 1.18 1.2724 -1 -6 4 76.76 2.05 1.2416 -5 -5 1 76.85 1.69 1.2405 1 -6 3 77.57 2.10 1.2307 5 5 0 77.93 1.12 1.2259 -4 -1 6 78.52 2.00 1.2182 2 3 6 80.50 1.06 1.1931 -5 -5 3 81.45 1.26 1.1816 2 -5 4 82.50 1.03 1.1692 -1 -5 6 83.79 1.44 1.1545 -2 4 6 84.42 1.32 1.1475 2 -3 6 85.47 1.13 1.1360 -1 -7 4 86.21 1.50 1.1282 -4 4 4 86.64 1.04 1.1237 1 8 1 88.16 1.61 1.1081 -6 1 0 89.08 1.04 1.0992 0 7 4 89.70 1.47 1.0931 5 -2 3 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.