Benyacarite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R130130 Demartin F, Pilati T, Gay H D, Gramaccioli C M Zeitschrift fur Kristallographie 208 (1993) 57-71 The crystal structure of a mineral related to paulkerrite Locality: granitic pegmatites in Cerro Blanco, Tanti, Cordoba, Argentina _database_code_amcsd 0011061 CELL PARAMETERS: 10.5549 20.7310 12.4898 90.000 90.000 90.000 SPACE GROUP: Pbca ATOM X Y Z OCCUPANCY ISO(B) Mn 0.50330 0.24517 0.23961 0.750 1.279 Fe 0.50330 0.24517 0.23961 0.210 1.279 Mg 0.50330 0.24517 0.23961 0.040 1.279 Fe 0.66250 -0.00457 0.26007 0.680 0.971 Ti 0.66250 -0.00457 0.26007 0.280 0.971 Al 0.66250 -0.00457 0.26007 0.070 0.971 Ti 0.50000 0.50000 0.00000 1.000 1.011 P 0.41520 0.08940 0.29400 1.000 1.042 P 0.58920 0.40270 0.19650 1.000 0.821 F 0.14340 0.50300 0.59700 0.400 2.606 OH 0.14340 0.50300 0.59700 0.600 2.606 O 0.78020 0.14810 0.94540 0.780 3.711 K 0.78020 0.14810 0.94540 0.160 3.711 O 0.40540 0.16290 0.28530 1.000 1.737 O 0.53330 0.06460 0.23630 1.000 1.500 O 0.41740 0.06830 0.41190 1.000 1.500 O 0.29540 0.06160 0.24020 1.000 1.421 O 0.59390 0.32930 0.19060 1.000 1.658 O 0.47090 0.42610 0.25810 1.000 1.184 O 0.58940 0.43070 0.08260 1.000 1.579 O 0.70870 0.42610 0.25490 1.000 1.579 O 0.65030 0.18690 0.17610 1.000 2.921 O 0.41720 0.24010 0.07790 1.000 2.448 O 0.35440 0.30440 0.30720 1.000 2.606 O 0.59260 0.25000 0.39620 1.000 2.921 O 0.16240 0.50500 0.91200 1.000 1.737 O 0.23940 0.14050 0.06020 1.000 3.711 O 0.03060 0.40590 0.00910 1.000 4.185 H 0.64060 0.14830 0.19530 1.000 3.948 H 0.75000 0.18160 0.19530 1.000 3.948 H 0.38870 0.28320 0.08200 1.000 3.948 H 0.35940 0.34950 0.30460 1.000 3.948 H 0.27730 0.31630 0.33390 1.000 3.948 H 0.64060 0.19920 0.41800 1.000 3.948 H 0.55650 0.25000 0.47270 1.000 3.948 H 0.64060 0.03320 0.05660 1.000 3.948 H 0.72270 0.00100 0.02930 1.000 3.948 H 0.75000 0.09960 0.38870 1.000 3.948 H 0.69340 0.11720 0.47070 1.000 3.948 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 9 +/- 19 +/- 11 MAX. ABS. INTENSITY / VOLUME**2: 10.58062618 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 8.53 52.52 10.3655 0 2 0 11.78 56.37 7.5136 1 1 1 14.18 100.00 6.2449 0 0 2 16.49 1.80 5.3746 1 0 2 16.80 15.97 5.2775 2 0 0 16.90 7.97 5.2466 1 3 1 17.04 1.32 5.2026 1 1 2 17.11 15.94 5.1828 0 4 0 18.60 1.12 4.7714 1 2 2 18.87 7.93 4.7030 2 2 0 22.05 3.37 4.0309 2 0 2 22.29 2.29 3.9882 0 4 2 22.36 22.64 3.9760 2 3 1 23.37 3.27 3.8070 1 1 3 23.68 36.03 3.7568 2 2 2 23.85 1.58 3.7307 1 4 2 24.07 4.44 3.6978 2 4 0 25.78 2.19 3.4552 0 6 0 26.38 2.54 3.3785 1 3 3 28.04 2.34 3.1818 2 4 2 28.29 50.14 3.1546 2 5 1 28.59 21.13 3.1225 0 0 4 29.13 7.34 3.0653 3 0 2 29.37 1.95 3.0410 3 3 1 29.55 5.79 3.0233 0 6 2 29.84 9.31 2.9942 1 0 4 29.89 4.14 2.9897 0 2 4 30.25 3.87 2.9548 2 3 3 30.41 3.45 2.9395 3 2 2 30.93 23.65 2.8907 2 6 0 31.09 8.97 2.8766 1 2 4 31.61 10.23 2.8302 1 5 3 33.34 3.81 2.6873 2 0 4 33.51 1.76 2.6746 0 4 4 33.98 12.22 2.6384 3 4 2 34.18 8.10 2.6233 2 6 2 34.19 3.39 2.6228 3 5 1 34.48 1.92 2.6013 2 2 4 34.60 4.84 2.5926 1 4 4 34.61 1.89 2.5914 0 8 0 34.95 1.96 2.5669 2 5 3 35.02 9.27 2.5619 4 1 1 35.09 1.10 2.5572 4 2 0 35.49 10.68 2.5292 2 7 1 35.85 5.58 2.5045 3 3 3 37.24 1.24 2.4143 1 1 5 37.71 1.41 2.3857 2 4 4 38.02 4.82 2.3665 4 2 2 38.55 2.88 2.3354 3 0 4 38.57 4.33 2.3342 1 8 2 40.18 1.11 2.2445 2 1 5 41.01 2.85 2.2006 4 4 2 41.19 2.30 2.1916 4 5 1 42.10 2.46 2.1462 2 3 5 42.62 2.11 2.1213 2 6 4 43.14 2.32 2.0971 4 6 0 43.47 5.52 2.0816 0 0 6 43.47 3.11 2.0816 2 9 1 44.98 3.64 2.0154 4 0 4 45.58 1.13 1.9901 3 7 3 45.63 12.51 1.9880 4 6 2 45.76 1.50 1.9829 2 5 5 45.85 2.16 1.9790 3 8 2 46.23 1.15 1.9636 5 2 2 46.25 1.09 1.9631 4 5 3 46.67 2.39 1.9461 4 7 1 47.04 3.98 1.9316 0 4 6 47.78 6.53 1.9035 2 2 6 48.45 1.62 1.8789 1 7 5 48.46 2.16 1.8784 4 4 4 48.55 2.64 1.8751 5 1 3 48.82 1.20 1.8654 2 8 4 48.97 1.12 1.8602 5 5 1 49.44 4.64 1.8436 2 10 2 50.85 2.63 1.7955 2 7 5 50.97 2.97 1.7915 3 0 6 51.24 1.01 1.7830 0 6 6 51.30 2.14 1.7808 4 7 3 52.57 2.81 1.7409 4 6 4 53.01 6.73 1.7276 0 12 0 53.30 2.17 1.7188 4 9 1 53.83 1.24 1.7029 5 7 1 54.17 1.16 1.6932 3 4 6 54.31 4.37 1.6892 2 6 6 54.47 1.42 1.6847 2 1 7 55.13 5.92 1.6658 6 4 0 55.16 2.25 1.6650 0 12 2 56.01 1.22 1.6419 2 3 7 56.01 1.43 1.6419 2 12 0 56.45 1.98 1.6302 4 10 0 56.85 1.27 1.6195 1 5 7 57.05 3.45 1.6144 4 2 6 57.13 1.01 1.6124 2 9 5 57.24 3.72 1.6095 6 4 2 57.54 1.39 1.6017 4 9 3 58.52 4.61 1.5773 4 10 2 58.81 1.46 1.5702 5 3 5 58.91 1.44 1.5677 6 6 0 59.78 1.67 1.5469 4 7 5 60.40 1.70 1.5327 6 0 4 60.86 2.54 1.5222 4 11 1 61.33 1.94 1.5116 0 12 4 61.73 1.13 1.5027 5 5 5 62.09 2.44 1.4949 0 4 8 62.34 1.03 1.4894 1 11 5 62.91 2.03 1.4774 4 6 6 63.27 3.50 1.4697 6 4 4 63.97 1.45 1.4555 6 8 0 66.02 1.91 1.4151 2 10 6 70.89 1.67 1.3294 2 15 1 71.52 1.30 1.3192 6 8 4 72.14 3.45 1.3094 8 1 1 73.83 1.08 1.2834 4 10 6 74.00 1.29 1.2810 8 2 2 82.63 1.34 1.1677 6 0 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.