Friedelite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070085 Kato T, Watanabe I Yamaguchi University, College of Arts Bulletin 26 (1992) 51-63 The crystal structures of schallerite and friedelite Locality: Aderville, France CELL PARAMETERS: 23.2080 13.4020 7.4390 90.000 105.070 90.000 SPACE GROUP: C2/m ATOM X Y Z OCCUPANCY ISO(B) Mn 0.00000 0.12360 0.00000 1.000 0.470 Mn 0.00000 0.37110 0.00000 1.000 1.060 Mn 0.12760 0.00000 0.01940 1.000 0.700 Mn 0.12680 0.24860 0.01000 1.000 0.770 Mn 0.12570 0.50000 -0.01320 1.000 0.990 Mn 0.25210 0.12460 0.01810 1.000 0.630 Si 0.20740 0.38660 0.37280 1.000 2.140 Si 0.32170 0.26740 0.37690 1.000 1.820 Si 0.44340 0.38250 0.36910 1.000 2.120 O 0.00000 0.16570 0.50000 1.000 8.040 O 0.06250 0.00000 0.57000 1.000 17.140 O 0.11470 0.16470 0.58600 1.000 12.370 O 0.16560 0.32870 0.49500 1.000 10.310 O 0.22500 0.16700 0.55300 1.000 7.260 O 0.28660 0.00000 0.58000 1.000 21.100 O 0.17870 0.37310 0.15530 1.000 0.240 O 0.30640 0.25040 0.15500 1.000 0.890 O 0.42670 0.37830 0.14450 1.000 0.110 OH 0.05700 0.00000 0.17570 1.000 1.100 OH 0.05650 0.24770 0.15960 1.000 0.590 Cl 0.06030 0.50000 0.22070 1.000 0.590 OH 0.17670 0.12600 0.15010 1.000 0.210 OH 0.30360 0.00000 0.15800 1.000 0.760 OH 0.30510 0.50000 0.15710 1.000 0.370 OH 0.42720 0.12570 0.14460 1.000 0.420 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 20 +/- 12 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 21.93735410 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 7.69 10.38 11.5021 1 1 0 7.89 11.00 11.2049 2 0 0 12.32 100.00 7.1832 0 0 1 13.21 2.25 6.7010 0 2 0 13.57 6.30 6.5249 3 1 0 13.63 15.45 6.4945 -1 1 1 15.41 3.61 5.7510 2 2 0 16.14 6.30 5.4900 -3 1 1 16.30 3.34 5.4388 2 0 1 17.36 1.16 5.1085 -4 0 1 18.10 2.10 4.8999 0 2 1 20.27 2.47 4.3811 1 3 0 20.90 1.92 4.2506 5 1 0 21.04 3.96 4.2229 2 2 1 21.88 1.52 4.0626 -4 2 1 23.24 2.88 3.8278 -1 3 1 24.79 27.00 3.5916 0 0 2 24.97 8.49 3.5664 -1 1 2 26.88 2.73 3.3171 5 1 1 26.98 2.21 3.3051 1 1 2 27.34 2.00 3.2625 -6 2 1 27.34 2.22 3.2624 6 2 0 27.47 1.56 3.2472 -2 2 2 27.99 2.25 3.1877 2 0 2 29.05 1.26 3.0742 -4 2 2 31.10 32.70 2.8755 4 4 0 31.11 15.89 2.8751 -8 0 1 33.04 1.39 2.7108 1 3 2 35.13 64.21 2.5545 4 4 1 35.13 33.89 2.5542 -8 0 2 37.36 13.28 2.4069 -4 4 2 37.37 6.16 2.4066 8 0 1 37.56 3.10 2.3944 0 0 3 42.83 20.83 2.1114 4 4 2 42.83 10.52 2.1113 -8 0 3 45.97 8.57 1.9741 -4 4 3 45.98 4.16 1.9739 8 0 2 52.93 12.28 1.7300 4 4 3 52.93 5.83 1.7299 -8 0 4 54.80 9.51 1.6753 0 8 0 54.81 19.97 1.6750 -12 4 1 56.40 6.74 1.6315 0 8 1 56.41 6.37 1.6312 -12 4 2 56.41 6.12 1.6312 12 4 0 56.69 8.48 1.6236 -4 4 4 56.70 4.01 1.6235 8 0 3 61.03 1.94 1.5182 0 8 2 61.04 1.82 1.5180 -12 4 3 61.04 2.33 1.5180 12 4 1 64.36 3.00 1.4475 -8 8 1 64.37 1.62 1.4472 -16 0 1 64.77 1.14 1.4393 4 4 4 64.91 2.43 1.4366 0 0 5 66.78 6.83 1.4008 -8 8 2 66.79 3.05 1.4006 16 0 0 68.21 1.84 1.3749 8 8 1 68.22 1.02 1.3747 -16 0 3 68.34 1.29 1.3726 0 8 3 68.35 1.35 1.3725 -12 4 4 68.35 1.23 1.3725 12 4 2 69.08 6.39 1.3598 -4 4 5 69.08 3.20 1.3597 8 0 4 71.95 3.07 1.3123 -8 8 3 71.96 1.50 1.3121 16 0 1 74.25 1.41 1.2773 8 8 2 79.67 2.54 1.2034 -8 8 4 79.68 1.36 1.2033 16 0 2 80.17 1.15 1.1972 0 0 6 82.79 2.19 1.1659 8 8 3 82.80 1.09 1.1658 -16 0 5 89.97 1.52 1.0905 0 8 5 89.98 1.58 1.0905 -12 4 6 89.98 1.53 1.0905 12 4 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.