Ushkovite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R060954 Galliski M A, Hawthorne F C The Canadian Mineralogist 40 (2002) 929-937 Refinement of the crystal structure of ushkovite from Nevados De Palermo, Republica Argentina Locality: Nevados De Palermo, Republica Argentina _database_code_amcsd 0005775 CELL PARAMETERS: 5.3560 10.6220 7.2420 108.370 111.710 71.650 SPACE GROUP: P-1 ATOM X Y Z OCCUPANCY ISO(B) Mg 0.00000 0.00000 0.00000 0.990 0.900 Mn 0.00000 0.00000 0.00000 0.010 0.900 Fe 0.00000 0.50000 0.00000 0.990 0.608 Al 0.00000 0.50000 0.00000 0.010 0.608 Fe 0.00000 0.50000 0.50000 0.990 0.703 Al 0.00000 0.50000 0.50000 0.010 0.703 P 0.34610 0.67354 0.93022 1.000 0.584 O 0.17220 0.65470 0.04370 1.000 0.837 O 0.30290 0.57850 0.71540 1.000 0.916 O 0.26700 0.82210 0.91250 1.000 1.026 O 0.34330 0.36230 0.94880 1.000 0.797 Oh 0.15750 0.50470 0.29790 1.000 0.987 O 0.23960 0.30580 0.54430 1.000 1.216 O 0.23260 0.00530 0.31020 1.000 2.171 O 0.22740 0.11040 0.96850 1.000 2.424 O 0.26340 0.80430 0.50930 1.000 2.084 H 0.35900 0.48000 0.32900 1.000 3.948 H 0.29500 0.31800 0.69300 1.000 3.948 H 0.41600 0.27100 0.51400 1.000 3.948 H 0.23100 0.09600 0.40200 1.000 3.948 H 0.20900 -0.05300 0.38100 1.000 3.948 H 0.12800 0.20500 0.96600 1.000 3.948 H 0.42300 0.11100 0.00800 1.000 3.948 H 0.25300 0.81800 0.64700 1.000 3.948 H 0.16000 0.73500 0.41600 1.000 3.948 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 4 +/- 9 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 20.38101866 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 9.00 100.00 9.8226 0 1 0 13.51 22.15 6.5553 0 0 1 14.46 1.48 6.1272 0 -1 1 17.92 10.52 4.9494 -1 -1 1 18.06 9.84 4.9113 0 2 0 18.30 11.73 4.8487 1 0 0 19.22 1.47 4.6177 -1 0 1 20.92 1.32 4.2457 -1 -2 1 22.20 12.39 4.0051 -1 1 0 22.69 11.54 3.9190 1 2 0 24.16 1.69 3.6835 -1 1 1 25.94 5.01 3.4355 -1 -1 2 26.87 1.67 3.3176 -1 -3 1 27.10 7.75 3.2901 -1 -2 2 27.14 2.04 3.2855 1 1 1 27.21 25.54 3.2776 0 0 2 27.57 4.18 3.2350 0 -3 1 28.63 13.52 3.1178 -1 2 0 29.28 6.89 3.0501 1 3 0 30.64 3.21 2.9180 0 1 2 31.08 5.87 2.8776 -1 -3 2 31.14 7.40 2.8720 -1 2 1 31.15 4.82 2.8714 1 2 1 32.48 1.98 2.7565 -1 1 2 33.23 1.02 2.6963 0 3 1 34.07 1.46 2.6318 0 -3 2 34.38 8.01 2.6085 -1 -4 1 35.41 1.91 2.5351 -2 0 1 36.05 3.86 2.4914 0 -4 1 36.11 2.46 2.4874 2 1 0 36.30 3.26 2.4747 -2 -2 2 36.40 1.99 2.4683 -1 3 0 36.51 3.77 2.4613 -2 -1 2 36.59 1.37 2.4557 0 4 0 37.05 1.19 2.4262 -1 -4 2 37.08 1.69 2.4243 2 0 0 37.13 1.44 2.4211 1 4 0 37.45 5.57 2.4012 1 0 2 37.50 3.53 2.3985 2 2 0 38.10 1.07 2.3620 1 -1 2 38.85 1.41 2.3178 -1 2 2 39.01 1.53 2.3088 -2 0 2 39.83 1.01 2.2631 -1 0 3 40.94 2.45 2.2044 1 -2 2 41.04 1.11 2.1991 2 3 0 41.26 2.64 2.1879 0 -2 3 41.32 1.80 2.1851 0 0 3 42.18 1.69 2.1423 -2 -4 1 42.59 1.43 2.1229 -2 -4 2 42.80 2.39 2.1128 1 2 2 43.18 3.12 2.0951 -2 -2 3 44.36 1.43 2.0422 -2 -3 3 44.97 5.11 2.0157 -1 4 0 45.28 2.34 2.0025 -2 2 0 45.77 1.33 1.9825 1 5 0 46.32 1.15 1.9600 1 -4 1 46.34 1.82 1.9595 2 4 0 48.19 1.80 1.8885 1 3 2 48.35 1.65 1.8824 0 -5 2 49.49 2.72 1.8417 -2 2 2 49.74 1.29 1.8331 -1 2 3 50.47 2.07 1.8083 -1 -2 4 50.72 1.18 1.7998 1 0 3 54.66 1.40 1.6791 -2 -1 4 54.71 1.32 1.6776 -1 -4 4 54.89 1.06 1.6727 -1 4 2 54.90 1.07 1.6725 1 4 2 55.02 3.16 1.6690 -3 -4 2 55.02 1.30 1.6690 1 6 0 55.31 1.34 1.6610 -3 0 2 55.39 1.69 1.6588 -2 -6 2 55.98 2.62 1.6428 2 2 2 56.12 1.76 1.6388 0 0 4 56.19 3.33 1.6371 0 6 0 56.93 1.16 1.6175 0 -6 2 56.98 1.25 1.6162 3 0 0 57.57 3.32 1.6011 2 -2 2 57.66 1.75 1.5988 -2 0 4 64.80 1.81 1.4388 -2 -6 4 64.95 1.13 1.4357 2 4 2 65.15 1.24 1.4319 -1 -6 4 67.86 1.27 1.3811 2 -4 2 69.76 1.05 1.3482 0 6 2 70.49 1.32 1.3359 -4 -3 2 77.19 1.07 1.2358 -1 4 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.