Kochkarite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R100114 Talybov A G, Vainshtein B K Soviet Physics - Crystallography 6 (1962) 432-438 An electron diffraction study of the structure of PbBi4Te7 Loality: synthetic _database_code_amcsd 0015543 CELL PARAMETERS: 4.4620 4.4620 17.8100 90.000 90.000 120.000 SPACE GROUP: P-3m1 ATOM X Y Z OCCUPANCY ISO(B) Bi 0.00000 0.00000 0.00000 1.000 1.500 Te 0.33333 0.66667 0.11000 1.000 1.000 Te 0.00000 0.00000 0.33333 0.812 1.000 Pb 0.00000 0.00000 0.33333 0.188 1.500 Te 0.33333 0.66667 0.44400 0.812 1.000 Pb 0.33333 0.66667 0.44400 0.188 1.500 Bi 0.33333 0.66667 0.77800 1.000 1.500 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 3 +/- 3 +/- 16 MAX. ABS. INTENSITY / VOLUME**2: 507.1325693 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 4.96 3.07 17.8100 0 0 1 19.94 1.30 4.4525 0 0 4 23.56 2.69 3.7763 1 0 1 25.12 2.34 3.5448 1 0 2 27.54 100.00 3.2386 0 1 3 38.23 39.98 2.3540 1 0 6 40.43 33.83 2.2310 1 1 0 45.86 7.62 1.9789 0 0 9 49.62 17.73 1.8373 2 0 3 56.86 11.22 1.6193 0 2 6 62.76 15.93 1.4804 1 1 9 65.85 13.48 1.4182 1 2 3 67.62 6.14 1.3855 0 1 12 72.07 9.86 1.3105 2 1 6 73.53 4.61 1.2881 3 0 0 81.84 3.25 1.1770 2 0 12 85.57 2.85 1.1350 1 0 15 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.