Traskite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R060199 Malinovskii Yu A, Pobedimskaya E A, Belov N V Doklady Akademii Nauk SSSR 229 (1976) 1101-1104 Crystal structure of traskite Note: y(OH1) and z(OH1) adjusted to match reported bond lengths CELL PARAMETERS: 17.8630 17.8630 12.2860 90.000 90.000 120.000 SPACE GROUP: P-6m2 ATOM X Y Z OCCUPANCY ISO(B) Ba -0.22070 0.22070 0.24300 1.000 1.500 Ba 0.42220 -0.42220 0.50000 1.000 1.500 Ba 0.35150 0.36180 0.00000 1.000 1.500 Ba 0.56940 -0.56940 0.50000 1.000 1.500 Ba 0.20340 -0.20340 0.23800 1.000 1.500 Ti 0.66667 0.33333 0.27100 1.000 0.800 Fe 0.33333 0.66667 0.24000 1.000 0.700 Ca 0.33333 0.66667 0.00000 1.000 1.300 Fe 0.40070 0.40620 0.29700 0.667 0.700 Ti 0.40070 0.40620 0.29700 0.333 0.800 Si 0.56900 -0.56900 0.13900 1.000 0.500 Si 0.44000 -0.44000 0.12800 1.000 0.500 Si 0.09200 0.35800 0.50000 1.000 0.500 Si 0.73600 0.09800 0.50000 1.000 0.500 O 0.31800 0.41800 0.39500 1.000 1.000 O 0.27200 0.26700 0.50000 1.000 1.000 O 0.83300 -0.83300 0.50000 1.000 1.000 O 0.16900 -0.16900 0.50000 1.000 1.000 O 0.40300 0.31100 0.38500 1.000 1.000 O 0.57100 -0.57100 0.00000 1.000 1.000 O 0.47200 0.09500 0.17900 1.000 1.000 O 0.38700 -0.38700 0.13600 1.000 1.000 O 0.44700 -0.44700 0.00000 1.000 1.000 O 0.37700 0.46600 0.18500 1.000 1.000 O 0.61700 -0.61700 0.17200 1.000 1.000 Cl 0.18500 -0.18500 0.00000 1.000 1.000 Cl 0.79100 -0.79100 0.00000 1.000 1.000 OH 0.28900 0.28300 0.24100 1.000 1.000 OH 0.28500 -0.28500 0.38800 1.000 1.000 OH 0.71500 -0.71500 0.38200 1.000 1.000 OH 0.50900 -0.50900 0.36100 1.000 1.000 Wa 0.87800 -0.87800 0.24600 1.000 1.000 Wa 0.08800 -0.08800 0.00000 1.000 1.000 Wa 0.86400 -0.86400 0.00000 1.000 1.000 Wa 0.00000 0.00000 0.50000 1.000 1.000 Wa 0.00000 0.00000 0.00000 1.000 1.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 14 +/- 14 +/- 11 MAX. ABS. INTENSITY / VOLUME**2: 109.5632240 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 5.71 100.00 15.4698 1 0 0 9.19 1.50 9.6210 1 0 1 9.90 8.83 8.9315 1 1 0 15.15 5.67 5.8470 2 1 0 15.52 1.05 5.7093 1 0 2 18.44 2.74 4.8105 2 0 2 18.66 1.57 4.7548 3 0 1 20.70 1.63 4.2906 3 1 0 20.98 4.74 4.2352 2 1 2 21.94 3.41 4.0507 3 1 1 22.51 2.55 3.9495 3 0 2 23.00 1.74 3.8675 4 0 0 23.90 1.85 3.7227 1 1 3 24.65 2.91 3.6121 2 2 2 25.32 15.68 3.5175 3 1 2 26.40 1.07 3.3758 4 1 0 27.25 3.95 3.2729 4 0 2 27.82 6.81 3.2070 3 0 3 28.86 8.55 3.0940 5 0 0 29.07 7.85 3.0715 0 0 4 30.01 12.43 2.9772 3 3 0 30.17 10.81 2.9624 3 1 3 30.21 2.50 2.9585 4 1 2 30.58 2.36 2.9235 4 2 0 30.78 1.23 2.9045 1 1 4 30.90 2.47 2.8934 3 3 1 31.34 1.23 2.8547 2 0 4 32.40 1.91 2.7633 5 0 2 32.94 2.69 2.7192 2 1 4 33.41 3.57 2.6820 3 2 3 33.96 1.47 2.6398 4 2 2 35.46 4.53 2.5316 5 1 2 35.58 1.49 2.5233 6 0 1 37.02 1.70 2.4283 5 2 1 37.84 1.03 2.3774 6 0 2 38.30 2.71 2.3498 4 3 2 40.98 1.39 2.2023 6 1 2 41.09 1.02 2.1969 4 4 1 41.38 1.52 2.1819 6 0 3 41.42 4.99 2.1798 5 0 4 41.52 1.99 2.1751 7 0 1 42.12 1.50 2.1453 6 2 0 42.28 9.02 2.1377 3 3 4 42.39 1.68 2.1323 3 1 5 42.70 1.66 2.1176 4 2 4 43.52 1.59 2.0795 5 3 2 45.84 1.25 1.9795 2 0 6 46.70 1.43 1.9449 5 3 3 46.73 1.69 1.9437 7 1 2 49.04 1.15 1.8578 6 3 2 49.31 1.70 1.8480 3 1 6 52.45 2.61 1.7445 5 2 5 52.70 1.33 1.7367 8 1 2 53.42 1.12 1.7153 5 5 2 54.82 1.20 1.6746 7 3 2 55.96 1.28 1.6432 7 0 5 56.52 1.09 1.6282 6 4 3 58.79 2.10 1.5707 8 3 0 60.26 1.03 1.5358 0 0 8 66.91 2.22 1.3985 8 3 4 68.78 1.86 1.3649 3 3 8 89.18 1.03 1.0981 8 3 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.