Lindgrenite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R110061 Bao R L, Kong Z P, Cu M, Yue B, Weng L H, He H Y Chemical Research in Chinese Universities 22 (2006) 679-683 Hydrothermal synthesis and thermal stability of natural mineral lindgrenite Locality: synthetic Note: atomic coordinates transformed to standard setting _database_code_amcsd 0018341 CELL PARAMETERS: 5.4015 14.0400 5.6153 90.000 98.456 90.000 SPACE GROUP: P2_1/n ATOM X Y Z OCCUPANCY ISO(B) Mo 0.04373 0.65456 0.62285 1.000 0.695 Cu 0.50000 0.50000 0.50000 1.000 0.790 Cu 0.13614 0.90608 0.51287 1.000 0.853 O 0.35480 0.61300 0.62540 1.000 1.019 O 0.02130 0.77670 0.56300 1.000 1.548 O 0.15090 0.40790 0.59980 1.000 1.326 O 0.05240 0.37010 0.09980 1.000 1.192 OH 0.13160 0.03060 0.36000 1.000 0.892 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 4 +/- 12 +/- 5 MAX. ABS. INTENSITY / VOLUME**2: 30.63459679 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 12.61 17.71 7.0200 0 2 0 17.17 3.54 5.1648 0 1 1 17.76 6.66 4.9934 1 1 0 20.39 43.94 4.3558 0 2 1 20.89 5.74 4.2515 1 2 0 21.31 65.58 4.1690 -1 0 1 22.24 1.93 3.9965 -1 1 1 24.76 11.80 3.5954 1 0 1 24.84 20.94 3.5845 -1 2 1 24.88 2.54 3.5789 0 3 1 25.30 100.00 3.5204 1 3 0 25.38 34.36 3.5100 0 4 0 25.58 74.72 3.4830 1 1 1 27.88 6.35 3.2001 1 2 1 28.68 6.08 3.1130 -1 3 1 30.12 13.96 2.9672 0 4 1 30.47 9.28 2.9336 1 4 0 31.37 12.70 2.8512 1 3 1 32.23 24.59 2.7771 0 0 2 32.88 25.78 2.7243 0 1 2 33.37 41.04 2.6851 -1 4 1 33.55 22.80 2.6714 2 0 0 34.17 8.16 2.6243 2 1 0 34.74 1.11 2.5825 -1 1 2 34.74 5.85 2.5824 0 2 2 35.67 17.11 2.5174 -2 1 1 35.75 6.45 2.5116 1 4 1 35.83 14.93 2.5060 0 5 1 36.52 19.83 2.4606 -1 2 2 37.41 21.27 2.4041 -2 2 1 38.47 1.38 2.3400 0 6 0 38.66 2.42 2.3290 -1 5 1 38.82 1.92 2.3200 2 3 0 39.23 20.48 2.2967 1 1 2 39.33 4.76 2.2910 -1 3 2 40.06 2.71 2.2505 2 1 1 40.77 10.89 2.2130 1 5 1 41.89 5.28 2.1564 0 6 1 43.00 1.86 2.1033 -1 4 2 43.41 6.25 2.0845 -2 0 2 43.78 2.23 2.0677 -2 4 1 43.91 1.33 2.0619 -2 1 2 45.96 6.03 1.9746 0 5 2 46.83 14.03 1.9401 1 4 2 46.95 1.48 1.9355 2 5 0 47.56 12.04 1.9120 2 4 1 47.77 3.14 1.9041 -2 3 2 48.11 3.06 1.8914 -2 5 1 48.24 15.61 1.8865 0 7 1 48.48 7.07 1.8778 1 7 0 49.67 2.61 1.8355 0 1 3 50.14 3.71 1.8194 -1 1 3 50.50 5.68 1.8074 -1 7 1 51.02 2.51 1.7902 0 2 3 51.23 8.82 1.7831 2 1 2 51.74 3.07 1.7668 3 1 0 51.95 10.39 1.7602 2 6 0 52.11 1.83 1.7550 0 8 0 52.36 1.96 1.7474 -1 6 2 52.55 1.64 1.7415 2 2 2 53.03 2.09 1.7268 -2 6 1 53.20 11.14 1.7216 0 3 3 53.28 9.20 1.7194 -3 2 1 54.69 2.44 1.6782 2 3 2 54.81 2.69 1.6748 1 0 3 54.85 4.31 1.6737 -2 5 2 54.86 3.22 1.6734 0 8 1 55.08 5.29 1.6674 1 8 0 55.18 6.76 1.6645 3 3 0 55.23 4.66 1.6630 1 1 3 56.17 2.44 1.6376 0 4 3 56.54 2.48 1.6277 3 0 1 56.60 2.18 1.6261 -1 4 3 56.60 1.53 1.6260 0 7 2 56.95 8.58 1.6169 3 1 1 57.60 2.27 1.6001 -3 1 2 57.61 5.20 1.6001 2 4 2 57.78 12.34 1.5958 -2 2 3 58.08 2.20 1.5882 3 4 0 58.18 2.38 1.5856 3 2 1 58.29 1.95 1.5828 -3 4 1 58.47 6.35 1.5786 -2 7 1 58.53 1.69 1.5769 1 3 3 58.82 7.69 1.5698 -3 2 2 59.38 2.15 1.5565 -2 6 2 59.80 2.05 1.5466 -2 3 3 59.84 4.75 1.5457 0 5 3 60.19 1.68 1.5374 3 3 1 60.25 4.86 1.5360 -1 5 3 60.82 5.99 1.5230 -3 3 2 61.22 1.19 1.5140 2 5 2 61.58 1.43 1.5059 2 7 1 61.67 3.01 1.5039 3 5 0 61.77 1.46 1.5019 0 9 1 61.97 8.11 1.4975 1 9 0 63.69 2.35 1.4611 -1 9 1 63.78 1.20 1.4594 -1 8 2 64.14 1.16 1.4519 0 6 3 64.37 1.56 1.4473 -2 8 1 64.47 3.00 1.4453 -2 7 2 64.54 7.38 1.4439 -1 6 3 66.11 2.76 1.4134 -3 6 1 66.38 3.89 1.4082 3 5 1 66.75 8.26 1.4014 1 8 2 66.98 2.35 1.3971 -3 5 2 67.33 11.23 1.3907 2 8 1 67.48 5.02 1.3879 -1 1 4 67.76 1.91 1.3829 -3 1 3 68.79 3.11 1.3646 2 3 3 68.94 1.70 1.3622 0 2 4 68.95 4.55 1.3619 1 6 3 69.06 1.28 1.3601 0 9 2 69.42 1.24 1.3538 -1 7 3 70.11 1.20 1.3423 -2 6 3 70.16 1.58 1.3414 -1 9 2 70.35 4.17 1.3383 -4 1 1 70.44 1.48 1.3367 -1 3 4 70.73 1.15 1.3320 -2 9 1 70.87 1.19 1.3297 4 1 0 73.22 2.72 1.2927 1 1 4 73.32 1.26 1.2912 -2 2 4 73.32 1.49 1.2912 0 4 4 74.30 1.82 1.2766 1 2 4 74.50 2.23 1.2737 0 8 3 75.11 1.64 1.2648 -2 3 4 75.54 1.89 1.2586 3 5 2 75.94 1.79 1.2530 0 10 2 76.08 1.34 1.2510 1 3 4 76.15 2.83 1.2500 3 8 0 76.23 1.72 1.2490 -2 9 2 76.48 2.90 1.2455 -3 5 3 76.78 1.73 1.2414 1 11 0 77.06 3.15 1.2376 4 2 1 77.60 1.38 1.2303 -2 4 4 79.45 1.10 1.2062 4 5 0 80.07 2.89 1.1985 3 0 3 80.42 1.94 1.1941 0 6 4 80.88 1.73 1.1885 -1 9 3 82.43 1.11 1.1700 0 12 0 82.76 2.02 1.1662 -3 2 4 82.97 1.34 1.1637 -4 1 3 83.30 2.77 1.1600 4 6 0 83.97 2.51 1.1524 3 7 2 84.02 1.41 1.1519 -4 2 3 84.37 1.02 1.1481 -1 11 2 84.63 1.11 1.1451 -1 7 4 85.10 1.09 1.1400 4 0 2 85.64 1.21 1.1342 3 4 3 86.74 4.31 1.1226 -4 6 2 87.31 1.10 1.1167 -4 7 1 88.50 2.01 1.1048 2 4 4 88.91 3.62 1.1008 -3 10 1 89.17 1.20 1.0982 3 8 2 89.28 1.08 1.0972 0 2 5 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.