Bismutotantalite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R130254 Galliski M A, Marquez-Zavalia M F, Cooper M A, Cerny P, Hawthorne F C The Canadian Mineralogist 39 (2001) 103-110 Bismutotantalite from northwestern Argentina: Description and crystal structure Sample: [Bi] phase Locality: northwestern Argentina _database_code_amcsd 0005704 CELL PARAMETERS: 4.9950 11.8490 5.6830 90.000 90.000 90.000 SPACE GROUP: Pcnn ATOM X Y Z OCCUPANCY ISO(B) Bi 0.22147 0.50000 0.25000 0.980 0.797 Sb 0.22147 0.50000 0.25000 0.020 0.797 Ta 0.25000 0.75000 0.64078 0.890 0.537 Nb 0.25000 0.75000 0.64078 0.110 0.537 O 0.49543 0.69489 0.36094 1.000 1.098 O 0.08657 0.59742 0.58723 1.000 0.869 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 4 +/- 10 +/- 5 MAX. ABS. INTENSITY / VOLUME**2: 471.3727186 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 19.28 2.88 4.6027 1 1 0 23.72 2.42 3.7518 1 0 1 24.89 17.65 3.5768 1 1 1 28.15 100.00 3.1697 1 2 1 28.82 1.48 3.0981 1 3 0 30.17 24.31 2.9622 0 4 0 31.48 8.93 2.8415 0 0 2 32.40 7.67 2.7632 0 1 2 32.93 5.53 2.7202 1 3 1 35.02 6.61 2.5621 0 2 2 35.96 11.96 2.4975 2 0 0 38.73 2.09 2.3249 1 4 1 39.05 3.06 2.3066 0 3 2 40.17 1.23 2.2450 2 1 1 44.17 8.27 2.0506 0 4 2 45.26 3.05 2.0036 1 5 1 45.86 1.38 1.9788 2 3 1 47.63 14.49 1.9094 2 4 0 48.53 5.12 1.8759 2 0 2 49.17 6.92 1.8528 2 1 2 50.12 2.84 1.8199 0 5 2 51.07 4.49 1.7884 2 2 2 51.60 7.25 1.7712 1 0 3 52.22 3.84 1.7518 1 1 3 52.35 18.49 1.7475 1 6 1 54.04 2.19 1.6970 1 2 3 54.12 5.42 1.6945 2 3 2 56.77 2.02 1.6216 0 6 2 56.98 2.86 1.6162 1 3 3 58.21 5.47 1.5848 2 4 2 58.27 1.05 1.5835 3 1 1 59.95 1.50 1.5429 1 7 1 59.96 10.24 1.5427 3 2 1 60.94 7.22 1.5202 1 4 3 62.73 1.51 1.4812 3 3 1 62.73 2.89 1.4811 0 8 0 63.22 2.42 1.4708 2 5 2 64.03 1.82 1.4542 0 7 2 65.83 1.82 1.4187 1 5 3 67.83 4.91 1.3816 0 2 4 69.06 1.46 1.3601 2 6 2 71.88 1.55 1.3134 0 8 2 74.48 3.81 1.2739 2 8 0 75.68 1.09 1.2567 2 7 2 76.11 1.35 1.2506 3 0 3 76.25 1.37 1.2487 4 0 0 76.61 1.11 1.2437 3 1 3 76.72 4.26 1.2422 3 6 1 78.10 1.09 1.2237 1 7 3 79.24 4.97 1.2089 2 2 4 80.57 1.01 1.1923 3 3 3 83.09 1.98 1.1625 2 8 2 83.89 2.49 1.1533 0 6 4 84.00 2.74 1.1521 3 4 3 84.13 2.15 1.1507 4 4 0 85.45 2.86 1.1362 1 8 3 86.05 3.81 1.1299 1 10 1 88.15 2.18 1.1083 1 0 5 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.