Bobjonesite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R060530 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: 7.4070 7.4260 12.0930 90.000 106.548 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: 8.545028601 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 12.63 4.64 7.0088 -1 0 1 14.16 41.26 6.2530 0 1 1 15.29 50.99 5.7961 0 0 2 16.39 34.93 5.4075 1 0 1 17.40 8.45 5.0971 -1 1 1 19.43 100.00 4.5691 0 1 2 20.32 59.53 4.3713 1 1 1 22.85 15.33 3.8911 -1 0 3 23.97 19.95 3.7130 0 2 0 25.08 2.11 3.5501 2 0 0 25.19 11.38 3.5360 0 2 1 25.42 41.05 3.5044 -2 0 2 25.85 1.66 3.4466 -1 1 3 25.99 4.49 3.4278 0 1 3 26.91 8.23 3.3135 -2 1 1 27.10 26.86 3.2903 1 2 0 27.18 1.90 3.2810 -1 2 1 27.85 14.52 3.2029 2 1 0 28.16 14.37 3.1692 -2 1 2 28.55 1.42 3.1265 0 2 2 29.18 23.54 3.0609 1 2 1 29.29 2.93 3.0489 1 0 3 29.39 5.68 3.0387 -1 2 2 30.85 1.85 2.8980 0 0 4 31.36 6.46 2.8522 -2 1 3 31.73 25.08 2.8204 1 1 3 33.03 5.15 2.7118 1 2 2 33.13 3.02 2.7037 2 0 2 33.18 4.26 2.6997 0 1 4 33.47 7.00 2.6773 0 2 3 33.90 16.47 2.6440 -2 0 4 34.20 7.77 2.6218 -2 2 1 35.33 2.11 2.5406 2 1 2 36.06 10.21 2.4908 -2 1 4 36.52 9.75 2.4603 -3 0 1 37.14 10.04 2.4208 0 3 1 37.89 6.24 2.3747 -2 2 3 38.52 5.42 2.3374 1 3 0 38.54 3.75 2.3363 -3 0 3 38.55 2.75 2.3355 -3 1 1 38.59 8.60 2.3328 -1 2 4 38.70 1.90 2.3267 1 1 4 39.21 1.53 2.2977 -1 1 5 39.44 3.28 2.2845 0 2 4 41.04 1.79 2.1994 3 0 1 41.31 11.64 2.1857 2 2 2 43.66 1.19 2.0731 -3 1 4 44.29 4.25 2.0450 1 2 4 44.31 3.54 2.0442 -3 2 2 44.63 3.20 2.0305 2 3 0 45.45 2.20 1.9958 3 2 0 45.71 5.69 1.9851 2 0 4 45.89 2.69 1.9774 -3 2 3 46.37 1.09 1.9583 -3 0 5 46.65 1.90 1.9469 2 3 1 46.69 1.45 1.9455 -2 0 6 47.03 2.66 1.9320 0 0 6 47.04 6.55 1.9317 -2 3 3 47.11 2.35 1.9291 -2 2 5 47.30 12.62 1.9217 1 3 3 47.41 5.31 1.9177 2 1 4 48.05 6.32 1.8936 -3 1 5 48.08 4.49 1.8923 3 2 1 48.36 4.38 1.8820 -2 1 6 48.70 1.76 1.8698 0 1 6 50.64 1.28 1.8025 3 0 3 51.10 1.77 1.7874 1 2 5 51.60 1.79 1.7712 -1 2 6 52.09 3.95 1.7559 1 4 1 52.20 1.34 1.7522 -4 0 4 52.26 2.03 1.7506 2 2 4 53.09 1.08 1.7251 -1 0 7 53.15 2.59 1.7233 -2 2 6 53.75 4.68 1.7054 -4 1 4 53.97 1.77 1.6990 -3 3 3 54.50 1.20 1.6838 2 1 5 54.57 1.66 1.6817 1 4 2 54.79 2.91 1.6756 -1 4 3 54.86 1.90 1.6734 0 4 3 55.36 1.49 1.6596 -2 4 1 55.46 6.51 1.6568 -4 2 2 55.89 1.43 1.6451 2 4 0 55.92 1.27 1.6441 3 3 1 56.06 1.42 1.6405 -2 4 2 56.24 1.07 1.6355 -4 2 3 56.77 1.16 1.6215 3 2 3 57.00 1.24 1.6156 -4 1 5 57.91 1.12 1.5924 -3 2 6 58.56 1.78 1.5762 4 0 2 59.05 2.21 1.5645 -1 2 7 59.10 2.28 1.5632 0 4 4 59.11 1.44 1.5628 -1 3 6 59.71 2.26 1.5486 2 3 4 59.88 3.06 1.5445 -4 0 6 60.26 1.67 1.5358 -3 3 5 60.53 1.02 1.5296 -2 3 6 60.76 2.69 1.5245 2 0 6 60.82 1.71 1.5230 0 3 6 63.71 1.18 1.4606 -5 0 1 64.09 2.99 1.4529 -1 5 1 64.28 1.03 1.4491 0 4 5 64.29 1.70 1.4490 0 0 8 64.36 1.56 1.4476 -5 1 3 64.42 1.05 1.4464 2 4 3 67.05 1.29 1.3958 -1 2 8 68.13 2.13 1.3764 0 3 7 68.75 1.03 1.3654 -1 4 6 69.11 1.56 1.3592 -5 2 1 69.54 1.18 1.3519 4 0 4 69.68 2.51 1.3495 -5 2 4 70.03 1.07 1.3436 2 5 1 70.06 1.83 1.3431 -2 4 6 70.85 2.18 1.3300 4 1 4 72.01 1.01 1.3114 -5 2 5 72.04 1.77 1.3109 -4 4 2 74.28 1.46 1.2768 2 2 7 78.62 1.05 1.2169 0 2 9 79.54 1.69 1.2051 -1 6 2 81.30 1.15 1.1834 -3 5 5 81.30 1.29 1.1834 6 0 0 81.32 1.05 1.1831 4 2 5 82.74 1.05 1.1664 -2 4 8 84.61 1.45 1.1453 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.