Trembathite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070756 Schindler M, Hawthorne F C The Canadian Mineralogist 36 (1998) 1195-1201 The crystal structure of trembathite, (Mg1.55Fe1.43Mn0.02)B7O13Cl, a mineral of the boracite group: An example of the insertion of a cluster into a three-dimensional net CELL PARAMETERS: 8.5900 8.5900 21.0800 90.000 90.000 120.000 SPACE GROUP: R3c ATOM X Y Z OCCUPANCY ISO(B) Mg 0.70150 0.85010 0.00000 0.520 0.526 Fe 0.70150 0.85010 0.00000 0.480 0.526 B 0.10100 -0.10200 0.14480 1.000 0.632 B -0.16900 0.16900 0.08840 1.000 0.772 B 0.66667 0.33333 0.10690 1.000 0.579 O 0.00000 0.00000 0.16200 1.000 0.632 O 0.74630 0.64120 0.02740 1.000 0.509 O 0.63830 0.04330 -0.03060 1.000 0.553 O 0.77660 0.97610 0.08480 1.000 0.465 O 0.49340 0.66600 -0.05620 1.000 0.623 Cl 0.00000 0.00000 -0.06260 1.000 1.018 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: 12.89258927 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 14.57 11.31 6.0778 0 1 2 20.65 11.91 4.3003 1 0 4 20.68 2.64 4.2950 1 1 0 25.35 28.68 3.5133 0 0 6 25.39 14.40 3.5076 2 0 2 29.39 100.00 3.0389 0 2 4 32.94 24.00 2.7194 1 1 6 32.97 36.26 2.7167 1 2 2 36.16 1.47 2.4838 0 1 8 36.23 15.17 2.4797 3 0 0 42.02 24.63 2.1501 2 0 8 42.08 23.28 2.1475 2 2 0 44.04 13.93 2.0563 1 1 9 44.06 16.81 2.0552 2 1 7 44.10 12.76 2.0537 2 2 3 44.10 14.89 2.0534 1 3 1 44.73 7.40 2.0259 0 3 6 44.73 1.38 2.0259 3 0 6 44.76 1.37 2.0248 3 1 2 47.28 4.88 1.9227 1 2 8 47.31 1.08 1.9213 1 3 4 49.71 17.27 1.8340 0 2 10 49.76 13.51 1.8323 2 2 6 49.79 8.17 1.8315 0 4 2 52.06 4.19 1.7567 0 0 12 52.15 20.32 1.7538 4 0 4 54.40 7.64 1.6866 2 1 10 54.46 11.07 1.6847 2 3 2 56.61 1.52 1.6259 1 1 12 56.69 7.04 1.6236 3 2 4 56.70 3.31 1.6234 4 1 0 58.27 1.64 1.5835 1 2 11 58.29 1.28 1.5829 2 2 9 58.33 1.50 1.5820 2 3 5 58.34 1.42 1.5817 1 4 3 60.98 5.15 1.5194 0 4 8 62.98 2.88 1.4758 0 1 14 63.04 1.90 1.4745 1 3 10 63.09 4.59 1.4737 4 1 6 63.09 3.76 1.4737 1 4 6 63.11 3.63 1.4732 5 0 2 65.07 2.40 1.4334 3 0 12 65.07 1.61 1.4334 0 3 12 65.12 2.44 1.4324 2 3 8 65.15 2.98 1.4319 0 5 4 66.57 1.08 1.4047 2 1 13 67.06 4.26 1.3957 2 0 14 67.12 2.84 1.3946 4 0 10 67.18 1.21 1.3935 4 2 2 69.08 8.76 1.3597 2 2 12 69.16 8.22 1.3584 2 4 4 72.92 1.35 1.2973 1 0 16 73.03 3.38 1.2956 5 0 8 76.74 4.03 1.2419 0 2 16 76.86 9.88 1.2404 4 2 8 76.89 3.89 1.2399 6 0 0 80.57 2.11 1.1922 1 4 12 80.62 1.40 1.1917 1 5 8 82.50 1.28 1.1692 6 0 6 86.12 1.76 1.1291 2 3 14 86.21 1.09 1.1281 2 5 6 87.94 1.81 1.1104 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.