Kuksite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R110039 Mills S J, Kampf A R, Kolitsch U, Housley R M, Raudsepp M American Mineralogist 95 (2010) 933-938 The crystal chemistry and crystal structure of kuksite, Pb3Zn3Te6+P2O14, and a note on the crystal structure of yafsoanite, (Ca,Pb)3Zn(TeO6)2 Locality: Black Pine mine, NW of Philipsburg, Granite County, Montana, USA _database_code_amcsd 0005047 CELL PARAMETERS: 8.3920 8.3920 5.1860 90.000 90.000 120.000 SPACE GROUP: P321 ATOM X Y Z OCCUPANCY ISO(B) Pb 0.40881 0.00000 0.00000 1.000 2.329 Te 0.00000 0.00000 0.00000 1.000 1.769 Zn 0.00000 -0.24780 0.50000 1.000 2.053 P 0.33333 0.66667 0.53140 0.797 2.061 As 0.33333 0.66667 0.53140 0.202 2.061 O -0.12240 -0.21610 0.78780 1.000 2.842 O 0.52510 -0.19690 0.65600 1.000 4.422 O 0.33333 0.66667 0.23800 1.000 3.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 6 +/- 6 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 155.9843468 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 12.18 1.40 7.2677 1 0 0 17.10 25.01 5.1860 0 0 1 21.17 18.78 4.1960 1 1 0 24.50 20.09 3.6338 2 0 0 27.34 100.00 3.2620 1 1 1 30.03 46.33 2.9760 0 2 1 30.03 41.01 2.9760 2 0 1 32.60 28.40 2.7469 2 1 0 34.59 19.26 2.5930 0 0 2 37.03 7.10 2.4274 1 2 1 37.03 4.29 2.4274 2 1 1 37.11 14.35 2.4226 3 0 0 40.91 8.90 2.2058 1 1 2 41.13 6.26 2.1949 0 3 1 42.84 7.22 2.1107 0 2 2 42.84 6.87 2.1107 2 0 2 43.12 3.49 2.0980 2 2 0 44.97 18.45 2.0157 3 1 0 46.70 3.59 1.9449 2 2 1 48.26 11.12 1.8856 1 2 2 48.26 9.02 1.8856 2 1 2 48.45 12.09 1.8788 1 3 1 48.45 12.75 1.8788 3 1 1 50.21 1.25 1.8169 4 0 0 51.63 5.90 1.7702 0 3 2 51.63 6.33 1.7702 3 0 2 52.97 1.39 1.7287 0 0 3 55.08 4.54 1.6673 3 2 0 56.42 2.16 1.6310 2 2 2 57.67 8.06 1.5983 1 1 3 57.95 5.90 1.5914 1 3 2 57.95 5.23 1.5914 3 1 2 58.11 8.82 1.5873 2 3 1 58.11 8.66 1.5873 3 2 1 58.17 1.30 1.5859 4 1 0 59.19 4.79 1.5610 0 2 3 59.19 3.99 1.5610 2 0 3 63.60 1.97 1.4631 2 1 3 64.06 4.76 1.4535 5 0 0 66.69 1.40 1.4024 3 2 2 66.69 2.00 1.4024 2 3 2 66.85 3.86 1.3996 5 0 1 66.85 3.35 1.3996 0 5 1 66.90 1.89 1.3987 3 3 0 68.29 2.58 1.3735 4 2 0 70.60 1.04 1.3341 2 2 3 70.99 2.51 1.3277 4 2 1 70.99 1.84 1.3277 2 4 1 71.96 3.26 1.3122 3 1 3 71.96 2.90 1.3122 1 3 3 72.97 1.90 1.2965 0 0 4 74.89 2.83 1.2679 0 5 2 74.89 3.46 1.2679 5 0 2 77.55 2.11 1.2310 3 3 2 78.87 1.96 1.2137 2 4 2 78.87 1.53 1.2137 4 2 2 79.94 2.89 1.2001 3 2 3 79.94 1.93 1.2001 2 3 3 82.22 1.14 1.1725 1 2 4 82.22 1.30 1.1725 2 1 4 87.73 1.08 1.1125 5 0 3 87.73 1.60 1.1125 0 5 3 89.98 1.23 1.0904 1 3 4 89.98 1.13 1.0904 3 1 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.