Heinrichite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R060254 Locock A J, Burns P C, Flynn T M The Canadian Mineralogist 43 (2005) 721-733 Structures of strontium- and barium-dominant compounds that contain the autunite-type sheet _database_code_amcsd 0006009 CELL PARAMETERS: 7.1330 7.1440 21.6100 90.000 105.880 90.000 SPACE GROUP: P2/c ATOM X Y Z OCCUPANCY ISO(B) U 0.28610 0.74880 0.04400 1.000 1.026 As 0.24620 0.24860 0.00110 1.000 1.105 Ba 0.50000 -0.04170 0.25000 1.000 1.895 O 0.35200 0.75280 0.13080 1.000 1.500 O 0.32000 0.43230 0.05020 1.000 1.737 O 0.24360 0.06350 0.04970 1.000 1.658 O 0.39660 0.21120 -0.04690 1.000 1.500 O 0.02840 0.28570 -0.04770 1.000 1.658 O 0.22340 0.74730 -0.04180 1.000 1.895 Wa 0.14060 0.10120 0.17470 1.000 3.395 Wa 0.75290 -0.00490 0.16230 1.000 3.395 Wa 0.52520 0.30460 0.17720 1.000 3.790 Wa 0.28060 0.63240 0.26150 1.000 3.395 Wa 0.01890 0.50710 0.33730 1.000 4.027 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 6 +/- 6 +/- 19 MAX. ABS. INTENSITY / VOLUME**2: 71.33049047 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 8.51 100.00 10.3926 0 0 2 12.39 3.68 7.1440 0 1 0 12.90 12.91 6.8608 1 0 0 13.10 11.68 6.7561 0 1 1 13.38 18.49 6.6185 -1 0 2 15.05 4.11 5.8872 0 1 2 17.06 30.46 5.1963 0 0 4 17.33 4.45 5.1179 1 0 2 17.59 23.04 5.0433 -1 1 1 17.83 21.11 4.9736 0 1 3 17.93 3.66 4.9484 1 1 0 18.27 2.70 4.8552 -1 1 2 18.38 6.40 4.8264 -1 0 4 19.24 7.53 4.6131 1 1 1 19.88 5.60 4.4651 -1 1 3 21.14 1.19 4.2023 0 1 4 21.36 2.42 4.1604 1 1 2 22.23 1.79 3.9993 -1 1 4 24.15 20.87 3.6853 1 0 4 24.78 28.73 3.5930 0 1 5 24.93 13.76 3.5720 0 2 0 25.01 29.29 3.5604 -2 0 2 25.44 17.35 3.5018 -1 0 6 25.97 11.63 3.4304 2 0 0 26.38 45.92 3.3780 0 2 2 26.94 10.54 3.3093 -2 0 4 28.38 1.36 3.1444 -1 1 6 28.56 2.20 3.1253 -2 1 3 29.04 1.62 3.0748 1 2 1 29.57 9.69 3.0208 2 0 2 29.75 2.79 3.0028 -2 1 4 30.25 6.17 2.9545 2 1 1 30.37 5.14 2.9436 0 2 4 30.52 8.17 2.9291 1 2 2 30.70 3.33 2.9124 1 1 5 31.15 9.73 2.8712 -1 2 4 31.28 3.07 2.8600 -2 0 6 31.51 2.79 2.8391 -2 1 5 31.94 3.13 2.8017 -1 1 7 31.97 1.59 2.7995 1 0 6 32.17 1.40 2.7823 2 1 2 32.66 3.92 2.7419 0 1 7 33.37 1.74 2.6853 -1 0 8 33.76 1.98 2.6551 -2 1 6 34.56 3.63 2.5956 2 1 3 34.98 1.01 2.5649 1 2 4 35.60 9.57 2.5217 -2 2 2 35.72 1.17 2.5136 -1 1 8 36.12 1.04 2.4868 0 2 6 36.31 13.98 2.4742 2 2 0 36.41 4.30 2.4673 -2 1 7 37.03 12.90 2.4276 -2 2 4 37.33 1.26 2.4091 2 1 4 38.31 2.58 2.3497 1 1 7 38.42 2.70 2.3428 -3 0 4 39.05 2.11 2.3066 2 2 2 39.41 1.74 2.2863 -2 1 8 39.68 3.49 2.2716 -1 1 9 39.92 2.41 2.2584 -1 3 1 40.03 4.79 2.2525 -3 1 3 40.04 7.79 2.2520 0 3 3 40.34 2.67 2.2356 1 0 8 40.42 2.90 2.2315 2 1 5 40.50 3.80 2.2272 -3 1 1 40.52 1.05 2.2262 -3 1 4 40.73 5.60 2.2154 1 3 1 40.91 1.99 2.2062 -3 0 6 40.96 6.60 2.2034 1 2 6 41.06 2.78 2.1984 -1 3 3 41.07 3.80 2.1975 0 1 9 41.46 1.28 2.1781 3 1 0 41.82 1.65 2.1600 -1 0 10 41.84 1.03 2.1591 1 3 2 42.10 6.83 2.1464 -1 2 8 42.70 2.43 2.1177 -2 1 9 42.75 3.93 2.1153 3 0 2 43.05 1.00 2.1011 0 2 8 43.50 1.70 2.0802 2 2 4 43.54 4.34 2.0785 0 0 10 43.79 1.51 2.0675 2 1 6 43.81 3.06 2.0663 0 3 5 45.08 3.18 2.0111 -3 0 8 45.35 1.07 1.9996 -2 2 8 46.56 6.58 1.9504 1 1 9 47.19 2.33 1.9260 3 2 0 47.35 2.81 1.9198 2 3 1 47.39 1.78 1.9184 2 1 7 47.63 1.36 1.9094 3 0 4 48.03 5.85 1.8942 -1 1 11 48.22 2.90 1.8871 -2 3 5 48.50 4.62 1.8770 -3 2 6 49.04 5.00 1.8577 0 3 7 49.48 1.42 1.8422 -3 1 9 50.12 1.81 1.8201 3 2 2 50.41 1.96 1.8102 2 3 3 51.14 3.86 1.7860 0 4 0 51.32 4.08 1.7802 -4 0 4 51.58 1.41 1.7720 -4 0 2 51.80 1.75 1.7650 -2 3 7 51.95 3.69 1.7602 0 4 2 52.20 1.50 1.7525 -3 2 8 52.25 1.42 1.7509 -2 0 12 52.25 1.34 1.7508 3 1 5 53.24 2.61 1.7204 1 3 7 53.42 2.44 1.7152 4 0 0 53.73 1.10 1.7060 3 0 6 54.31 1.35 1.6890 0 4 4 54.31 3.27 1.6890 -1 3 9 54.49 2.71 1.6839 3 2 4 54.59 1.44 1.6811 -3 3 3 54.81 1.07 1.6750 -1 4 4 54.90 2.13 1.6723 2 3 5 54.97 1.93 1.6705 -3 3 1 55.36 3.49 1.6595 1 1 11 55.45 2.42 1.6570 -3 1 11 55.75 1.08 1.6488 -3 3 5 56.52 1.82 1.6283 4 1 1 56.73 1.56 1.6228 -2 3 9 56.92 3.49 1.6177 -1 1 13 57.23 2.09 1.6097 -3 2 10 57.33 2.22 1.6072 1 4 4 57.75 5.04 1.5964 -2 4 2 57.88 2.40 1.5933 -4 2 4 57.97 1.98 1.5910 -1 4 6 58.11 4.65 1.5874 -4 2 2 58.24 1.97 1.5842 2 4 0 58.75 3.45 1.5717 3 1 7 58.75 1.27 1.5717 -2 4 4 59.07 1.47 1.5639 -4 1 9 59.12 2.43 1.5627 -4 2 6 59.29 2.13 1.5585 0 2 12 59.92 2.54 1.5437 1 3 9 60.19 1.50 1.5374 2 4 2 60.45 1.06 1.5314 4 1 3 61.16 2.17 1.5154 -1 3 11 61.18 1.07 1.5149 -2 4 6 62.46 3.03 1.4869 -3 1 13 63.93 1.05 1.4562 2 2 10 64.71 1.76 1.4405 1 1 13 64.79 1.40 1.4389 3 3 5 66.21 2.38 1.4115 3 1 9 66.31 1.05 1.4097 -4 3 1 66.37 1.18 1.4085 -1 1 15 67.54 3.01 1.3869 1 3 11 67.62 2.05 1.3854 -3 3 11 68.79 1.10 1.3646 3 4 2 68.93 2.77 1.3622 -1 3 13 69.58 1.03 1.3512 0 5 5 70.39 1.82 1.3376 -3 1 15 70.52 1.25 1.3354 -3 4 8 70.58 1.33 1.3345 3 3 7 72.13 1.30 1.3095 4 3 3 73.63 1.05 1.2866 -5 2 8 73.98 1.48 1.2814 -3 3 13 74.57 1.26 1.2726 3 1 11 75.39 1.45 1.2608 -4 4 4 75.59 1.07 1.2579 -4 4 2 77.46 1.95 1.2322 3 3 9 81.34 1.07 1.1829 0 6 2 81.41 1.53 1.1821 -3 3 15 82.61 1.13 1.1679 1 5 9 83.70 1.27 1.1555 -1 5 11 86.11 1.06 1.1292 -2 6 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.