Jouravskite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R110012 Granger M M, Protas J Acta Crystallographica B25 (1969) 1943-1951 Determination et etude de la structure cristalline de la jouravskite Ca3MnIV(SO4)(CO3)(OH)*12(H2O) Locality: Tachgagalt mine, Morocco _database_code_amcsd 0009362 CELL PARAMETERS: 11.0720 11.0720 10.6950 90.000 90.000 120.000 SPACE GROUP: P6_3 ATOM X Y Z OCCUPANCY ISO(B) Ca 0.00240 0.20490 0.79360 1.000 1.470 Mn 0.00000 0.00000 0.04350 1.000 1.232 S 0.33333 0.66667 0.53450 1.000 1.030 C 0.33333 0.66667 0.00000 1.000 4.450 O 0.33333 0.66667 0.38670 1.000 7.130 O 0.19630 0.62890 0.00000 1.000 2.250 O 0.19370 0.58810 0.57530 1.000 3.880 OH 0.00450 0.13560 0.43190 1.000 1.430 OH 0.13560 0.13550 0.64790 1.000 2.080 Wa 0.01790 0.34520 0.98340 1.000 2.620 Wa -0.01410 0.33270 0.61480 1.000 1.780 Wa 0.25310 0.40370 0.78090 1.000 2.510 Wa 0.39870 0.23960 0.78970 1.000 2.790 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 8 +/- 8 +/- 9 MAX. ABS. INTENSITY / VOLUME**2: 14.48460523 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 9.22 100.00 9.5886 1 0 0 12.40 4.74 7.1394 1 0 1 16.01 23.60 5.5360 1 1 0 16.58 1.17 5.3475 0 0 2 18.04 7.41 4.9164 1 1 1 19.00 5.90 4.6703 1 0 2 20.30 3.58 4.3749 2 0 1 23.13 37.90 3.8462 1 1 2 24.94 19.20 3.5697 2 0 2 25.96 11.81 3.4324 1 2 1 25.96 5.24 3.4324 2 1 1 26.68 2.42 3.3415 1 0 3 27.91 12.73 3.1962 3 0 0 29.81 5.23 2.9973 1 1 3 32.64 32.10 2.7435 3 0 2 33.44 1.21 2.6797 2 2 1 33.52 8.67 2.6737 0 0 4 34.76 2.54 2.5808 1 3 1 34.76 4.31 2.5808 3 1 1 35.32 9.28 2.5415 1 2 3 35.32 10.24 2.5415 2 1 3 37.78 4.42 2.3812 1 3 2 37.78 3.41 2.3812 3 1 2 38.55 1.23 2.3352 2 0 4 41.03 1.41 2.1998 2 3 0 41.29 17.45 2.1863 2 2 3 41.93 3.32 2.1547 2 3 1 41.93 5.62 2.1547 3 2 1 42.40 5.59 2.1316 1 3 3 42.40 5.66 2.1316 3 1 3 43.34 1.63 2.0877 1 0 5 44.10 1.26 2.0535 4 1 1 44.54 2.08 2.0344 2 3 2 44.54 3.74 2.0344 3 2 2 45.46 3.03 1.9952 1 1 5 46.61 1.30 1.9486 1 4 2 47.27 1.71 1.9231 2 2 4 47.41 7.75 1.9177 5 0 0 48.27 1.41 1.8855 1 3 4 49.39 1.24 1.8453 3 3 0 49.48 1.83 1.8421 1 2 5 49.48 2.01 1.8421 2 1 5 50.17 3.94 1.8185 3 3 1 51.18 1.61 1.7848 4 0 4 51.25 1.85 1.7825 0 0 6 52.46 4.88 1.7444 3 3 2 54.05 3.23 1.6967 1 1 6 55.10 1.73 1.6668 1 3 5 55.10 1.55 1.6668 3 1 5 55.79 3.51 1.6478 1 4 4 55.79 3.02 1.6478 4 1 4 57.68 3.24 1.5981 6 0 0 59.30 4.93 1.5583 5 0 4 60.46 1.47 1.5312 6 0 2 61.92 2.22 1.4986 2 2 6 62.05 1.66 1.4958 4 1 5 73.39 1.64 1.2902 4 4 3 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.