Carpholite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of 060608 Ghose S, Sen Gupta P K, Boggs R C, Schlemper E O American Mineralogist 74 (1989) 1084-1090 Crystal chemistry of a nonstoichiometric carpholite, Kx(Mn2-x,Lix)Al4Si4O12(OH)4F4: A chain silicate related to pyroxenes Locality: Sawtooth batholith, Idaho, USA CELL PARAMETERS: 13.8250 20.2910 5.1280 90.000 90.000 90.000 SPACE GROUP: Ccca ATOM X Y Z OCCUPANCY ISO(B) K 0.00000 0.25000 0.75000 0.650 2.453 Mn 0.00000 0.37733 0.25000 0.675 0.505 Li 0.00090 0.37650 0.25800 0.168 1.500 Al 0.19536 0.25000 0.25000 1.000 0.518 Al 0.00000 0.46136 0.75000 1.000 0.582 Si 0.19323 0.37902 0.91370 1.000 0.476 O 0.20710 0.29943 0.93120 1.000 0.597 O 0.08050 0.39809 0.89970 1.000 0.703 O 0.24560 0.41057 0.17230 1.000 0.679 Oh 0.06890 0.46806 0.43230 1.000 0.679 F 0.10260 0.30594 0.36670 1.000 1.245 H 0.12500 0.46200 0.41540 1.000 3.553 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 12 +/- 18 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 19.71460986 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 8.72 13.54 10.1455 0 2 0 12.81 29.23 6.9125 2 0 0 15.51 100.00 5.7126 2 2 0 17.48 4.00 5.0728 0 4 0 22.69 10.22 3.9187 1 3 1 23.31 2.07 3.8160 2 2 1 25.78 46.04 3.4562 4 0 0 26.35 17.07 3.3818 0 6 0 26.37 10.58 3.3797 3 1 1 27.26 2.40 3.2716 4 2 0 27.90 2.53 3.1974 2 4 1 28.79 21.32 3.1012 1 5 1 29.21 4.80 3.0574 3 3 1 29.40 4.99 3.0378 2 6 0 31.32 2.16 2.8563 4 4 0 32.46 3.46 2.7581 4 2 1 34.31 9.56 2.6136 2 6 1 35.00 15.56 2.5640 0 0 2 35.39 11.73 2.5364 0 8 0 35.90 14.00 2.5018 1 1 2 35.99 1.71 2.4953 4 4 1 36.13 1.23 2.4858 0 2 2 37.20 5.85 2.4172 4 6 0 37.21 6.77 2.4164 5 1 1 37.41 15.03 2.4040 2 0 2 38.49 2.03 2.3392 2 2 2 39.09 4.30 2.3042 6 0 0 39.35 5.67 2.2900 5 3 1 39.38 1.06 2.2883 0 4 2 40.51 2.40 2.2270 3 1 2 41.57 8.78 2.1724 2 4 2 42.20 1.63 2.1414 1 5 2 42.50 2.68 2.1269 3 3 2 43.35 2.46 2.0872 5 5 1 43.97 20.69 2.0592 4 0 2 44.00 2.13 2.0580 6 2 1 44.30 7.33 2.0448 4 8 0 44.34 5.98 2.0432 0 6 2 44.38 2.46 2.0413 1 9 1 44.92 1.95 2.0181 4 2 2 46.29 1.38 1.9615 3 5 2 46.34 1.59 1.9594 2 6 2 46.65 1.66 1.9470 2 10 0 46.79 1.23 1.9417 6 4 1 48.32 1.75 1.8836 3 9 1 50.62 5.47 1.8032 0 8 2 51.38 3.42 1.7782 7 3 1 51.99 2.29 1.7588 4 6 2 52.28 1.41 1.7498 4 10 0 52.44 1.46 1.7448 2 8 2 53.47 10.36 1.7138 6 0 2 53.75 8.20 1.7055 6 8 0 53.81 1.39 1.7036 8 2 0 54.25 3.35 1.6909 0 12 0 54.70 1.08 1.6781 7 5 1 55.99 5.13 1.6425 2 12 0 56.17 1.35 1.6376 2 2 3 57.66 4.60 1.5987 4 8 2 57.96 3.70 1.5911 0 10 2 58.04 1.05 1.5892 3 9 2 60.76 1.46 1.5244 7 3 2 60.83 3.78 1.5228 6 10 0 61.00 1.38 1.5189 4 12 0 61.17 1.97 1.5150 4 2 3 62.33 2.30 1.4897 2 6 3 62.38 3.70 1.4887 1 11 2 64.27 4.28 1.4494 0 14 0 64.47 1.35 1.4453 4 10 2 65.09 5.40 1.4330 8 0 2 65.40 1.15 1.4269 7 9 1 65.76 3.17 1.4200 6 8 2 65.82 3.41 1.4189 8 2 2 67.75 11.62 1.3830 2 12 2 67.78 6.48 1.3825 10 0 0 67.98 3.28 1.3791 8 4 2 68.10 1.04 1.3769 7 7 2 68.88 2.00 1.3632 6 12 0 69.04 1.48 1.3604 6 2 3 71.79 2.12 1.3150 9 1 2 71.85 1.88 1.3139 5 13 1 72.14 2.19 1.3093 6 10 2 72.30 1.50 1.3068 4 12 2 73.17 1.34 1.2934 9 3 2 74.47 1.14 1.2740 1 1 4 75.32 1.56 1.2617 0 14 2 75.41 1.69 1.2605 2 0 4 76.09 1.40 1.2509 2 2 4 78.13 1.73 1.2233 2 4 4 78.17 1.08 1.2227 4 10 3 78.62 2.36 1.2169 10 0 2 78.85 2.05 1.2139 10 8 0 79.65 1.46 1.2037 6 12 2 79.79 2.87 1.2020 4 0 4 81.15 1.92 1.1852 4 14 2 84.72 1.04 1.1442 0 8 4 86.97 3.02 1.1203 6 0 4 87.88 1.52 1.1110 6 16 0 88.31 2.20 1.1067 6 14 2 89.28 1.61 1.0971 10 8 2 89.69 5.17 1.0932 8 12 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.