Congolite Diffraction data computed using the structute from the paper listed below, along with the cell parameters refined from single crystal data of R070149 Dowty E, Clark J R Zeitschrift fur Kristallographie 138 (1973) 64-99 Crystal-structure refinements for orthorhombic boracite, Mg3B7O13Cl, and a trigonal, iron-rich analogue Locality: Bischofferode, Thuringen, Germany CELL PARAMETERS: 8.6023 8.6023 21.0470 90.000 90.000 120.000 SPACE GROUP: R3c ATOM X Y Z OCCUPANCY ISO(B) Fe 0.14800 0.29710 0.32700 0.800 0.740 Mg 0.14800 0.29710 0.32700 0.200 0.740 B 0.16200 -0.16900 0.08280 1.000 0.590 B 0.09900 -0.10500 -0.02860 1.000 0.780 B 0.00000 0.00000 0.10200 1.000 0.960 O 0.00000 0.00000 -0.01260 1.000 0.700 O -0.16000 -0.00100 0.10560 1.000 0.590 O 0.28900 0.26100 -0.03530 1.000 0.640 O 0.19900 -0.02200 -0.08690 1.000 0.670 O -0.30600 -0.22600 0.02040 1.000 0.660 Cl 0.00000 0.00000 0.26540 1.000 1.160 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 6 +/- 6 +/- 19 MAX. ABS. INTENSITY / VOLUME**2: 17.02119148 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 14.57 9.11 6.0804 0 1 2 20.65 4.16 4.3011 1 1 0 20.67 14.52 4.2978 1 0 4 25.36 19.50 3.5114 2 0 2 25.39 32.09 3.5078 0 0 6 29.38 100.00 3.0402 0 2 4 32.93 35.51 2.7201 1 2 2 32.95 22.91 2.7184 1 1 6 36.17 15.34 2.4833 3 0 0 42.01 24.20 2.1506 2 2 0 42.05 26.04 2.1489 2 0 8 44.04 10.43 2.0563 1 3 1 44.04 9.42 2.0561 2 2 3 44.06 13.02 2.0552 2 1 7 44.08 10.28 2.0545 1 1 9 44.70 1.44 2.0275 3 1 2 44.71 8.30 2.0268 0 3 6 44.71 2.25 2.0268 3 0 6 47.26 1.05 1.9232 1 3 4 47.29 5.19 1.9224 1 2 8 49.71 8.69 1.8340 0 4 2 49.73 15.60 1.8334 2 2 6 49.76 17.48 1.8324 0 2 10 52.09 19.63 1.7557 4 0 4 52.15 4.14 1.7539 0 0 12 54.38 11.86 1.6870 2 3 2 54.43 7.71 1.6858 2 1 10 56.62 3.12 1.6257 4 1 0 56.62 7.40 1.6255 3 2 4 56.68 1.62 1.6241 1 1 12 58.26 1.02 1.5837 1 4 3 58.26 1.14 1.5836 2 3 5 58.29 1.00 1.5830 2 2 9 58.30 1.30 1.5826 1 2 11 60.95 5.22 1.5201 0 4 8 63.01 3.80 1.4752 5 0 2 63.02 3.18 1.4750 1 4 6 63.02 4.71 1.4750 4 1 6 63.05 1.37 1.4744 1 3 10 63.09 2.55 1.4737 0 1 14 65.06 3.41 1.4336 0 5 4 65.08 3.08 1.4332 2 3 8 65.11 1.75 1.4326 0 3 12 65.11 2.28 1.4326 3 0 12 67.07 1.54 1.3954 4 2 2 67.11 3.12 1.3948 4 0 10 67.14 4.31 1.3941 2 0 14 69.06 7.53 1.3600 2 4 4 69.11 8.36 1.3592 2 2 12 72.97 3.44 1.2965 5 0 8 73.04 1.14 1.2954 1 0 16 76.76 3.45 1.2416 6 0 0 76.79 8.23 1.2413 4 2 8 76.86 3.85 1.2404 0 2 16 80.54 1.15 1.1926 1 5 8 80.57 1.98 1.1923 1 4 12 82.45 1.09 1.1698 0 4 14 86.09 1.17 1.1294 2 5 6 86.15 1.81 1.1288 2 3 14 88.01 1.49 1.1096 1 3 16 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.