Chlorophoenicite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R140135 Moore P B American Mineralogist 53 (1968) 1110-1119 The crystal structure of chlorophoenicite _database_code_amcsd 0000179 CELL PARAMETERS: 23.0260 3.2883 7.3540 90.000 106.110 90.000 SPACE GROUP: C2/m ATOM X Y Z OCCUPANCY ISO(B) Mn 0.00000 0.00000 0.00000 0.870 0.890 Ca 0.00000 0.00000 0.00000 0.100 0.890 Mg 0.00000 0.00000 0.00000 0.030 0.890 Mn 0.08880 0.50000 0.36560 0.870 1.250 Ca 0.08880 0.50000 0.36560 0.100 1.250 Mg 0.08880 0.50000 0.36560 0.030 1.250 Zn 0.20760 0.00000 0.22070 1.000 0.960 As 0.38230 0.00000 0.10470 0.500 0.510 OH 0.02220 0.00000 0.30020 1.000 1.180 O 0.06570 0.50000 0.04300 1.000 1.330 OH 0.15610 0.00000 0.39140 1.000 0.930 OH 0.25480 0.50000 0.25870 1.000 1.310 OH 0.40590 0.00000 0.32460 1.000 3.580 O 0.33940 0.50000 0.04710 1.000 1.410 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 20 +/- 3 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 26.38374899 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 12.53 19.15 7.0652 0 0 1 12.86 30.40 6.8834 -2 0 1 16.03 1.53 5.5304 4 0 0 16.66 10.51 5.3218 2 0 1 23.01 8.54 3.8653 4 0 1 23.93 55.74 3.7192 -6 0 1 24.14 3.16 3.6870 6 0 0 25.21 4.29 3.5326 0 0 2 25.89 14.84 3.4417 -4 0 2 27.42 1.61 3.2526 1 1 0 28.58 43.54 3.1233 2 0 2 29.77 19.67 3.0014 -1 1 1 29.78 22.16 3.0003 -6 0 2 30.30 3.47 2.9501 6 0 1 30.73 3.00 2.9098 1 1 1 33.72 5.85 2.6579 3 1 1 33.97 100.00 2.6392 5 1 0 36.75 3.22 2.4458 -2 0 3 36.79 3.14 2.4430 -1 1 2 37.03 10.21 2.4275 -3 1 2 37.11 3.13 2.4226 -4 0 3 38.10 5.58 2.3622 8 0 1 38.22 3.95 2.3551 0 0 3 38.33 4.19 2.3482 5 1 1 38.38 3.53 2.3456 1 1 2 39.03 1.07 2.3076 -7 1 1 39.08 1.19 2.3051 -5 1 2 39.27 1.23 2.2945 -6 0 3 39.55 1.27 2.2786 7 1 0 40.79 7.23 2.2122 10 0 0 41.35 7.93 2.1833 2 0 3 41.73 1.08 2.1644 -10 0 2 44.13 3.20 2.0520 7 1 1 45.88 2.85 1.9780 4 0 3 46.22 2.46 1.9642 5 1 2 46.22 2.36 1.9641 -3 1 3 46.69 1.62 1.9456 -1 1 3 47.62 5.86 1.9096 -9 1 2 47.98 2.22 1.8962 -10 0 3 49.63 14.28 1.8368 -4 0 4 49.81 3.93 1.8308 -7 1 3 49.98 2.73 1.8248 -2 0 4 50.74 1.07 1.7993 -6 0 4 51.77 21.56 1.7658 -11 1 1 51.92 15.75 1.7610 7 1 2 53.57 8.39 1.7106 -11 1 2 53.63 4.36 1.7089 -9 1 3 53.99 2.34 1.6983 -12 0 3 55.92 14.39 1.6442 0 2 0 56.51 3.15 1.6284 5 1 3 59.45 2.05 1.5547 -7 1 4 60.39 1.04 1.5328 -13 1 2 60.67 7.53 1.5263 1 1 4 60.86 1.35 1.5220 -14 0 3 61.68 5.65 1.5038 -6 2 1 62.09 9.01 1.4949 7 1 3 62.34 8.94 1.4895 -9 1 4 62.62 1.97 1.4836 -4 2 2 63.02 1.66 1.4751 12 0 2 64.00 6.62 1.4549 2 2 2 64.11 1.33 1.4525 3 1 4 64.64 3.34 1.4419 -6 2 2 65.04 4.99 1.4339 -16 0 1 65.41 1.13 1.4269 10 0 3 66.36 5.43 1.4086 13 1 1 66.37 1.17 1.4085 -11 1 4 67.71 1.32 1.3838 -14 0 4 68.11 1.04 1.3767 -10 0 5 68.59 2.01 1.3682 9 1 3 69.68 1.89 1.3494 8 2 1 71.39 2.10 1.3213 -15 1 3 71.49 2.24 1.3196 10 2 0 71.73 1.00 1.3158 -1 1 5 71.88 2.38 1.3134 2 2 3 73.50 2.12 1.2884 12 0 3 78.00 5.25 1.2250 -4 2 4 78.27 1.02 1.2215 -2 2 4 79.10 1.74 1.2107 -17 1 3 79.41 2.06 1.2067 -2 0 6 83.50 1.84 1.1578 18 0 1 84.77 1.95 1.1436 -7 1 6 86.28 1.92 1.1274 -15 1 5 89.20 1.05 1.0980 12 2 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.