Strontiohurlbutite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R141104 Rao C, Wang R, Hatert F, Gu X, Ottolini L, Hu H, Dong C, Bo F D, Baijot M American Mineralogist 99 (2014) 494-499 Strontiohurlbutite, SrBe2(PO4)2, a new mineral from Nanping No. 31 pegmatite, Fujian Province, Southeastern China Locality: Nanping No. 31 pegmatite, Fujian Province, Southeastern China _database_code_amcsd 0020033 CELL PARAMETERS: 7.9970 8.9790 8.4200 90.000 90.180 90.000 SPACE GROUP: P2_1/c ATOM X Y Z OCCUPANCY ISO(B) Sr 0.25553 0.91255 0.10887 0.870 0.685 Ca 0.25553 0.91255 0.10887 0.050 0.685 Ba 0.25553 0.91255 0.10887 0.010 0.685 Be 0.42880 0.91930 -0.27340 1.000 0.632 Be -0.07390 0.69310 -0.06330 1.000 0.663 P 0.56332 0.69579 -0.06627 1.000 0.448 P 0.06219 0.58553 0.23174 1.000 0.463 O 0.43694 0.68179 0.07032 1.000 0.711 O 0.24044 0.90691 -0.19911 1.000 0.805 O 0.54896 0.85798 -0.12766 1.000 0.655 O 0.73828 0.66255 -0.00846 1.000 0.821 O 0.49060 0.08846 -0.30027 1.000 0.750 O -0.00630 0.92727 0.30616 1.000 0.758 O 0.05641 0.68755 0.08705 1.000 0.671 O -0.05553 0.86224 -0.13523 1.000 0.632 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 7 +/- 8 +/- 7 MAX. ABS. INTENSITY / VOLUME**2: 12.28082484 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 14.42 14.91 6.1419 0 1 1 14.83 25.63 5.9718 1 1 0 18.19 4.99 4.8765 -1 1 1 18.23 1.55 4.8657 1 1 1 22.23 4.84 3.9985 2 0 0 22.71 10.01 3.9148 1 2 0 23.86 17.01 3.7301 -1 0 2 23.92 100.00 3.7205 1 0 2 24.37 5.09 3.6527 2 1 0 25.07 76.28 3.5519 -1 2 1 25.10 9.36 3.5478 1 2 1 25.86 13.79 3.4447 -1 1 2 26.57 43.32 3.3545 -2 1 1 26.63 16.56 3.3474 2 1 1 29.08 25.52 3.0710 0 2 2 29.92 10.37 2.9859 2 2 0 30.79 7.30 2.9038 -2 0 2 30.89 1.65 2.8947 2 0 2 31.17 1.19 2.8691 -1 2 2 31.73 9.34 2.8201 0 3 1 31.77 4.22 2.8163 -2 2 1 31.82 16.52 2.8121 2 2 1 31.93 44.92 2.8031 1 3 0 32.40 14.24 2.7629 -2 1 2 32.50 13.29 2.7551 2 1 2 33.45 5.04 2.6788 0 1 3 33.71 1.98 2.6587 1 3 1 35.12 7.11 2.5554 3 1 0 35.30 22.27 2.5424 -1 1 3 35.37 11.54 2.5378 1 1 3 36.72 8.76 2.4473 -3 1 1 36.79 10.70 2.4432 3 1 1 36.85 5.65 2.4394 0 3 2 36.86 2.99 2.4382 -2 2 2 36.95 6.61 2.4328 2 2 2 37.80 11.38 2.3799 0 2 3 39.48 1.41 2.2827 -1 2 3 40.17 16.11 2.2448 0 4 0 40.48 13.18 2.2286 -2 1 3 40.59 4.82 2.2225 2 1 3 40.77 14.47 2.2131 -3 2 1 40.83 18.75 2.2101 3 2 1 41.27 1.28 2.1874 -3 1 2 41.64 2.21 2.1690 0 4 1 42.97 3.11 2.1050 0 0 4 43.21 3.89 2.0938 -1 4 1 43.23 1.63 2.0929 1 4 1 43.42 7.15 2.0841 -2 3 2 43.49 21.48 2.0807 2 3 2 44.24 11.91 2.0474 -2 2 3 44.24 4.65 2.0473 0 3 3 44.35 9.23 2.0427 2 2 3 44.47 5.05 2.0372 -1 0 4 44.54 1.63 2.0341 1 0 4 44.98 6.43 2.0153 -3 2 2 45.09 6.00 2.0108 3 2 2 45.36 14.89 1.9992 4 0 0 45.57 6.51 1.9906 3 3 0 45.66 3.98 1.9867 -1 1 4 46.54 1.74 1.9515 4 1 0 47.26 2.17 1.9233 -1 4 2 47.29 4.38 1.9220 1 4 2 47.68 1.09 1.9072 -2 4 1 47.81 1.62 1.9023 -4 1 1 47.88 3.16 1.8998 4 1 1 48.08 2.46 1.8924 -3 1 3 48.23 3.14 1.8867 3 1 3 48.97 3.45 1.8602 2 0 4 49.94 2.47 1.8263 4 2 0 51.15 2.91 1.7859 -4 2 1 51.21 1.95 1.7838 4 2 1 51.40 2.50 1.7776 -3 2 3 51.45 1.23 1.7760 -2 4 2 51.52 1.28 1.7739 2 4 2 51.55 5.03 1.7729 3 2 3 52.07 12.41 1.7563 0 5 1 52.18 5.50 1.7530 0 4 3 52.21 3.10 1.7522 1 5 0 53.18 4.73 1.7224 -2 2 4 53.20 3.86 1.7218 0 3 4 53.31 2.30 1.7185 2 2 4 53.42 2.55 1.7152 1 5 1 53.49 6.54 1.7131 -1 4 3 54.52 2.01 1.6831 -3 4 1 54.55 4.28 1.6823 1 3 4 54.57 1.43 1.6817 3 4 1 55.52 7.11 1.6551 0 1 5 55.64 1.40 1.6518 0 5 2 56.56 2.97 1.6271 -3 1 4 56.62 1.28 1.6255 -3 3 3 56.74 4.45 1.6223 3 1 4 56.76 1.14 1.6219 3 3 3 56.76 1.66 1.6218 -1 1 5 57.28 2.24 1.6084 -2 5 1 57.35 2.51 1.6067 -2 4 3 57.44 1.23 1.6043 2 4 3 57.61 2.67 1.5999 4 1 3 58.29 1.30 1.5829 -2 3 4 59.55 2.71 1.5525 -3 2 4 59.72 2.59 1.5483 3 2 4 59.75 3.44 1.5477 -4 3 2 59.82 2.86 1.5461 1 2 5 60.39 1.02 1.5328 -4 2 3 60.57 2.03 1.5288 4 2 3 62.01 6.40 1.4967 -5 0 2 62.01 1.97 1.4965 0 6 0 62.15 5.54 1.4936 5 0 2 62.18 3.21 1.4930 4 4 0 62.47 5.16 1.4868 -1 5 3 62.51 6.72 1.4858 1 5 3 62.60 1.47 1.4838 -5 2 1 62.67 1.23 1.4823 5 2 1 63.29 2.96 1.4694 4 4 1 63.58 1.83 1.4634 3 4 3 64.14 2.11 1.4519 -4 0 4 64.33 6.45 1.4480 -3 3 4 64.50 4.73 1.4446 3 3 4 65.99 1.65 1.4156 -2 5 3 66.08 2.21 1.4140 2 5 3 66.26 5.17 1.4106 5 3 0 66.29 2.68 1.4101 0 6 2 66.65 1.72 1.4033 0 0 6 66.74 1.74 1.4016 2 6 0 67.46 1.89 1.3884 1 6 2 68.20 2.92 1.3751 -5 1 3 68.41 2.31 1.3714 5 1 3 69.13 1.37 1.3588 -3 2 5 69.82 1.79 1.3471 0 4 5 70.68 4.07 1.3328 6 0 0 70.89 1.05 1.3294 2 6 2 70.92 1.52 1.3289 -1 4 5 70.98 1.73 1.3278 1 4 5 71.37 1.01 1.3217 -1 2 6 71.53 1.97 1.3190 4 5 1 71.67 1.10 1.3168 4 4 3 72.02 1.23 1.3112 -2 1 6 72.54 1.44 1.3031 -6 1 1 72.55 1.95 1.3030 4 3 4 74.28 2.60 1.2769 -4 1 5 74.54 1.34 1.2730 4 1 5 74.67 1.11 1.2712 -2 2 6 74.99 1.71 1.2665 1 7 0 75.77 1.30 1.2554 -1 3 6 76.37 2.61 1.2470 -3 6 2 76.45 2.12 1.2459 3 6 2 76.50 1.15 1.2453 -5 4 2 76.63 1.06 1.2435 5 4 2 76.64 1.37 1.2434 -3 0 6 76.87 1.41 1.2402 3 0 6 77.74 4.12 1.2284 0 5 5 79.01 1.96 1.2119 -2 3 6 79.16 1.72 1.2099 2 3 6 79.24 2.86 1.2089 -2 7 1 79.27 1.65 1.2086 2 7 1 80.10 2.04 1.1980 4 6 0 80.37 1.05 1.1947 -6 1 3 80.40 1.13 1.1944 5 5 0 81.55 1.18 1.1804 5 4 3 81.70 1.22 1.1786 1 1 7 82.20 1.02 1.1727 2 7 2 82.54 3.27 1.1687 6 3 2 82.67 3.31 1.1672 -2 6 4 82.78 2.97 1.1660 2 6 4 82.93 2.35 1.1642 -6 2 3 83.16 1.94 1.1616 6 2 3 84.34 1.63 1.1484 5 1 5 84.61 1.22 1.1453 -3 7 1 84.65 1.94 1.1449 3 7 1 84.78 1.26 1.1435 -2 1 7 85.32 1.43 1.1377 4 1 6 86.96 1.10 1.1203 -2 7 3 87.32 1.87 1.1166 -2 2 7 87.50 3.14 1.1148 2 2 7 87.99 1.40 1.1099 -3 6 4 88.14 1.23 1.1083 3 6 4 88.79 1.60 1.1020 -1 8 1 89.00 4.24 1.0999 -5 5 3 89.18 2.38 1.0981 -7 2 1 89.19 3.99 1.0981 5 5 3 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.