Bobjonesite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of 060577 Schindler M, Hawthorne F C, Huminicki D M C, Haynes P, Grice J D, Evans H T The Canadian Mineralogist 41 (2003) 83-90 Bobjonesite, VO(SO4)(H2O)3, a new mineral species from Temple Mountain, Emery County, Utah, U.S.A. Locality: Temple Mountain, Emery County, Utah, USA CELL PARAMETERS: 7.3920 7.4080 12.0600 90.000 106.540 90.000 SPACE GROUP: P2_1/n ATOM X Y Z OCCUPANCY ISO(B) V 0.56808 0.28298 -0.12525 1.000 1.169 S 0.22910 0.35900 -0.01264 1.000 1.026 O 0.44780 0.40630 -0.22600 1.000 2.495 O 0.75770 0.10280 0.01280 1.000 1.595 O 0.44160 0.03980 -0.16960 1.000 2.053 O 0.76140 0.20420 -0.20810 1.000 1.895 O 0.76270 0.45730 -0.03560 1.000 2.053 O 0.42300 0.30120 -0.00860 1.000 1.421 O 0.15760 0.23500 0.05960 1.000 1.658 O 0.10730 0.35740 -0.13100 1.000 1.974 H 0.88000 0.15200 0.05700 1.000 1.579 H 0.80300 -0.01200 -0.00900 1.000 1.579 H 0.35400 -0.00100 -0.12700 1.000 1.579 H 0.91500 0.51200 0.25300 1.000 1.579 H 0.72600 0.22600 -0.29170 1.000 1.579 H 0.88900 0.25100 -0.17200 1.000 1.579 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 6 +/- 6 +/- 10 MAX. ABS. INTENSITY / VOLUME**2: 8.610411824 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 12.66 4.65 6.9934 -1 0 1 14.20 41.30 6.2373 0 1 1 15.33 51.00 5.7805 0 0 2 16.43 34.98 5.3958 1 0 1 17.44 8.46 5.0853 -1 1 1 19.48 100.00 4.5573 0 1 2 20.36 59.58 4.3615 1 1 1 22.92 15.32 3.8807 -1 0 3 24.03 19.95 3.7040 0 2 0 25.13 2.11 3.5431 2 0 0 25.25 11.37 3.5274 0 2 1 25.47 41.07 3.4967 -2 0 2 25.92 1.66 3.4376 -1 1 3 26.06 4.48 3.4187 0 1 3 26.97 8.23 3.3065 -2 1 1 27.17 26.84 3.2826 1 2 0 27.24 1.90 3.2732 -1 2 1 27.91 14.53 3.1963 2 1 0 28.22 14.37 3.1621 -2 1 2 28.62 1.42 3.1187 0 2 2 29.25 23.53 3.0537 1 2 1 29.37 2.93 3.0415 1 0 3 29.47 5.67 3.0313 -1 2 2 30.94 1.85 2.8902 0 0 4 31.44 6.45 2.8453 -2 1 3 31.81 25.06 2.8136 1 1 3 33.11 5.15 2.7054 1 2 2 33.21 3.02 2.6979 2 0 2 33.27 4.24 2.6926 0 1 4 33.56 6.98 2.6705 0 2 3 33.99 16.44 2.6373 -2 0 4 34.28 7.76 2.6160 -2 2 1 35.41 2.11 2.5350 2 1 2 36.15 10.19 2.4846 -2 1 4 36.60 9.73 2.4554 -3 0 1 37.23 10.02 2.4149 0 3 1 37.98 6.23 2.3690 -2 2 3 38.61 5.41 2.3318 1 3 0 38.62 3.74 2.3311 -3 0 3 38.63 2.76 2.3307 -3 1 1 38.70 8.58 2.3268 -1 2 4 38.80 1.89 2.3209 1 1 4 39.32 1.53 2.2915 -1 1 5 39.55 3.28 2.2786 0 2 4 41.12 1.80 2.1949 3 0 1 41.40 11.62 2.1807 2 2 2 43.77 1.19 2.0683 -3 1 4 44.41 4.24 2.0399 1 2 4 44.41 3.54 2.0398 -3 2 2 44.73 3.19 2.0259 2 3 0 45.55 2.20 1.9916 3 2 0 45.82 5.67 1.9804 2 0 4 46.00 2.68 1.9729 -3 2 3 46.49 1.09 1.9535 -3 0 5 46.77 1.89 1.9424 2 3 1 46.82 1.45 1.9404 -2 0 6 47.16 6.53 1.9270 -2 3 3 47.17 2.65 1.9268 0 0 6 47.24 2.34 1.9242 -2 2 5 47.42 12.57 1.9171 1 3 3 47.52 5.29 1.9132 2 1 4 48.17 6.30 1.8890 -3 1 5 48.19 4.48 1.8883 3 2 1 48.50 4.36 1.8770 -2 1 6 48.84 1.75 1.8648 0 1 6 50.76 1.28 1.7986 3 0 3 51.24 1.77 1.7829 1 2 5 51.75 1.78 1.7665 -1 2 6 52.22 3.94 1.7517 1 4 1 52.33 1.34 1.7483 -4 0 4 52.39 2.02 1.7464 2 2 4 53.25 1.08 1.7204 -1 0 7 53.30 2.58 1.7188 -2 2 6 53.88 4.67 1.7016 -4 1 4 54.10 1.76 1.6951 -3 3 3 54.64 1.19 1.6797 2 1 5 54.71 1.65 1.6777 1 4 2 54.93 2.90 1.6714 -1 4 3 55.01 1.89 1.6692 0 4 3 55.50 1.49 1.6557 -2 4 1 55.59 6.48 1.6533 -4 2 2 56.03 1.42 1.6413 2 4 0 56.06 1.26 1.6405 3 3 1 56.20 1.41 1.6366 -2 4 2 56.38 1.07 1.6320 -4 2 3 56.91 1.16 1.6179 3 2 3 57.15 1.24 1.6118 -4 1 5 58.07 1.12 1.5884 -3 2 6 58.70 1.78 1.5730 4 0 2 59.22 2.20 1.5603 -1 2 7 59.26 2.28 1.5593 0 4 4 59.28 1.44 1.5588 -1 3 6 59.87 2.25 1.5449 2 3 4 60.04 3.05 1.5409 -4 0 6 60.42 1.66 1.5321 -3 3 5 60.70 1.02 1.5257 -2 3 6 60.92 2.68 1.5207 2 0 6 60.99 1.70 1.5191 0 3 6 63.86 1.18 1.4577 -5 0 1 64.26 2.98 1.4494 -1 5 1 64.46 1.03 1.4455 0 4 5 64.48 1.69 1.4451 0 0 8 64.51 1.56 1.4446 -5 1 3 64.59 1.05 1.4430 2 4 3 67.26 1.28 1.3921 -1 2 8 68.33 2.12 1.3728 0 3 7 68.95 1.03 1.3619 -1 4 6 69.27 1.56 1.3564 -5 2 1 69.71 1.18 1.3489 4 0 4 69.85 2.50 1.3466 -5 2 4 70.22 1.07 1.3404 2 5 1 70.26 1.82 1.3397 -2 4 6 71.03 2.17 1.3271 4 1 4 72.20 1.00 1.3085 -5 2 5 72.23 1.76 1.3080 -4 4 2 74.50 1.46 1.2736 2 2 7 78.87 1.04 1.2136 0 2 9 79.77 1.69 1.2022 -1 6 2 81.50 1.28 1.1810 6 0 0 81.54 1.05 1.1805 4 2 5 81.54 1.14 1.1805 -3 5 5 83.01 1.04 1.1634 -2 4 8 84.89 1.44 1.1423 0 1 10 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.