Tuzlaite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R120036 Bermanec V, Armbruster T, Tibljas D, Sturman D, Kniewald G American Mineralogist 79 (1994) 562-569 Tuzlaite, NaCa[B5O8(OH)2].3H2O, a new mineral with a pentaborate sheet structure from the Tuzla salt mine, Bosnia and Hercegovina _database_code_amcsd 0001662 CELL PARAMETERS: 6.4960 13.2690 11.4560 90.000 93.130 90.000 SPACE GROUP: P2_1/c ATOM X Y Z OCCUPANCY ISO(B) Ca 0.20980 0.89462 0.08216 1.000 0.930 Na 0.33650 0.98420 0.35550 1.000 1.880 O 0.10260 0.09140 0.05450 1.000 0.780 O -0.13670 0.83270 0.22820 1.000 1.170 O 0.41590 0.05190 0.15410 1.000 0.960 O 0.30980 0.22780 0.13740 1.000 1.100 O -0.23550 0.08850 0.11900 1.000 0.960 O 0.67560 0.98230 0.27540 1.000 1.110 O 0.33150 0.81500 0.26920 1.000 1.530 Oh 0.57890 0.86170 0.03210 1.000 1.120 O 0.02860 0.98890 0.21990 1.000 0.980 O 0.15330 0.71260 0.05710 1.000 1.620 Oh 0.04750 0.07760 0.59340 1.000 1.470 O -0.02200 0.83020 -0.23800 1.000 1.160 O 0.54500 0.88000 0.52670 1.000 2.640 B 0.62160 0.04100 0.18120 1.000 0.810 B 0.31280 0.12750 0.07500 1.000 0.830 B -0.15970 0.74400 0.28590 1.000 0.880 B -0.12210 0.93430 0.28270 1.000 0.950 B -0.01600 0.08280 0.15970 1.000 0.790 H 0.25000 0.77200 0.28300 1.000 2.370 H 0.44500 0.78900 0.29300 1.000 2.370 H 0.66500 0.85200 0.08400 1.000 2.370 H 0.09000 0.69100 0.12100 1.000 2.370 H 0.08200 0.68500 -0.00100 1.000 2.370 H 0.90700 0.95500 0.44400 1.000 2.370 H 0.44300 0.85000 0.54600 1.000 2.370 H 0.61000 0.82900 0.49500 1.000 2.370 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 5 +/- 12 +/- 10 MAX. ABS. INTENSITY / VOLUME**2: 5.938101324 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 10.21 100.00 8.6639 0 1 1 13.35 30.34 6.6345 0 2 0 13.65 10.33 6.4863 1 0 0 15.44 2.82 5.7391 0 2 1 15.49 8.36 5.7195 0 0 2 16.73 4.18 5.2986 -1 1 1 16.88 9.34 5.2523 0 1 2 20.13 1.14 4.4110 -1 0 2 20.38 1.01 4.3578 -1 2 1 20.50 1.75 4.3320 0 2 2 20.95 2.66 4.2409 1 2 1 21.23 1.72 4.1858 -1 1 2 21.27 26.24 4.1782 1 0 2 21.54 6.95 4.1254 0 3 1 22.31 2.69 3.9853 1 1 2 24.23 1.01 3.6733 -1 2 2 24.29 1.58 3.6647 0 1 3 24.36 3.29 3.6543 1 3 0 25.19 8.72 3.5355 1 2 2 25.46 6.07 3.4988 0 3 2 25.82 1.97 3.4503 1 3 1 26.88 2.72 3.3173 0 4 0 27.32 10.25 3.2649 -1 1 3 28.58 1.61 3.1233 -1 3 2 28.60 12.50 3.1213 1 1 3 29.00 10.66 3.0794 -2 1 1 29.41 2.75 3.0373 1 3 2 29.75 2.23 3.0035 -1 2 3 30.68 1.15 2.9137 2 2 0 30.95 4.24 2.8897 -2 0 2 30.96 1.25 2.8880 0 3 3 31.17 28.51 2.8695 0 4 2 31.31 9.97 2.8572 -2 2 1 31.47 21.64 2.8426 1 4 1 31.69 15.87 2.8235 -2 1 2 32.02 13.13 2.7955 0 1 4 32.47 5.19 2.7573 2 0 2 33.19 10.62 2.6996 2 1 2 33.55 7.60 2.6711 -1 0 4 34.14 4.68 2.6262 0 2 4 34.52 5.59 2.5980 1 4 2 34.70 13.78 2.5851 0 5 1 34.85 7.26 2.5744 -2 3 1 34.97 1.93 2.5655 1 0 4 35.25 2.27 2.5462 2 2 2 35.64 2.17 2.5188 1 1 4 35.88 1.54 2.5027 0 4 3 36.00 2.29 2.4945 -2 1 3 37.17 1.66 2.4191 -2 3 2 37.36 13.11 2.4073 0 5 2 37.61 1.10 2.3913 1 5 1 37.93 1.41 2.3719 -2 2 3 38.00 1.39 2.3678 2 1 3 38.47 4.04 2.3399 2 3 2 39.97 1.40 2.2557 2 4 1 40.26 1.86 2.2401 1 5 2 40.66 14.23 2.2192 1 3 4 40.92 9.10 2.2055 -2 0 4 40.98 7.79 2.2025 -2 3 3 41.76 2.17 2.1628 0 2 5 42.36 5.29 2.1340 3 1 0 43.18 1.02 2.0949 1 1 5 43.22 1.07 2.0932 1 6 0 43.41 6.51 2.0846 -1 5 3 43.42 1.09 2.0843 -1 2 5 43.56 1.08 2.0777 3 1 1 43.83 2.57 2.0654 -1 6 1 43.87 3.47 2.0637 2 1 4 43.89 7.14 2.0627 0 6 2 43.95 2.95 2.0600 -3 0 2 44.05 2.27 2.0557 3 2 0 44.12 1.56 2.0526 1 6 1 44.51 1.54 2.0356 -3 1 2 44.55 1.38 2.0338 -2 5 1 44.65 7.45 2.0294 1 4 4 44.85 3.81 2.0207 1 2 5 45.12 8.00 2.0095 2 5 1 45.22 4.80 2.0052 3 2 1 45.66 3.44 1.9869 3 0 2 45.90 8.51 1.9770 -1 6 2 46.16 1.32 1.9665 -1 3 5 46.20 4.93 1.9650 3 1 2 46.46 1.52 1.9546 -2 5 2 46.63 2.74 1.9479 2 4 3 46.77 9.13 1.9424 3 3 0 47.53 2.61 1.9130 0 6 3 47.56 1.19 1.9121 2 5 2 47.70 2.32 1.9065 0 0 6 47.79 1.73 1.9033 3 2 2 47.88 1.72 1.8997 3 3 1 47.88 11.66 1.8997 -2 1 5 49.06 1.09 1.8567 -1 0 6 49.64 3.01 1.8366 -2 4 4 49.69 2.56 1.8349 -2 5 3 50.35 3.50 1.8124 3 3 2 50.38 3.70 1.8113 3 4 0 50.64 4.22 1.8027 1 0 6 51.14 1.57 1.7863 1 1 6 52.02 2.37 1.7580 2 2 5 52.29 4.60 1.7494 0 6 4 52.55 1.10 1.7416 -1 7 2 52.61 2.38 1.7396 1 2 6 52.83 1.69 1.7328 0 5 5 54.02 1.05 1.6974 0 7 3 54.22 1.38 1.6916 -1 5 5 54.43 1.26 1.6856 2 3 5 54.48 2.17 1.6842 -2 0 6 54.80 1.20 1.6751 1 6 4 55.06 2.24 1.6678 -2 6 3 55.45 4.49 1.6571 1 5 5 55.60 1.67 1.6529 0 4 6 56.21 1.04 1.6365 2 7 0 56.36 1.67 1.6324 1 7 3 59.31 1.34 1.5581 -1 6 5 59.68 1.10 1.5494 4 2 1 59.82 1.89 1.5460 3 6 0 60.77 1.12 1.5242 3 6 1 60.95 1.20 1.5202 3 1 5 61.77 1.30 1.5017 -2 4 6 65.32 1.22 1.4286 -1 9 1 66.02 1.04 1.4150 1 4 7 70.25 1.37 1.3399 -2 6 6 76.62 1.05 1.2436 -5 1 3 77.81 1.05 1.2275 -5 2 3 83.21 1.40 1.1610 4 3 6 85.24 1.60 1.1385 -1 5 9 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.