Sakhaite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of 060637 Yakubovich O V, Egorov-Tismenko Yu K, Simonov M A, Belov N V Doklady Akademii Nauk SSSR 239 (1978) 1103-1106 Crystal structure of natural sakhaite Ca3Mg[BO3]2[CO3]*0.36H2O CELL PARAMETERS: 14.6600 14.6600 14.6600 90.000 90.000 90.000 SPACE GROUP: F4_132 ATOM X Y Z OCCUPANCY ISO(B) Ca 0.24890 0.00000 0.00000 1.000 1.540 Mg 0.12500 0.12500 0.12500 1.000 0.200 B 0.35100 0.35100 0.35100 1.000 1.000 C 0.63600 0.63600 0.63600 0.500 2.000 O 0.15700 0.04500 0.63400 0.500 2.700 O 0.26500 0.11800 0.12700 1.000 1.700 Wa 0.00000 0.50000 0.00000 0.750 9.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 13 +/- 13 +/- 13 MAX. ABS. INTENSITY / VOLUME**2: 14.90874878 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 10.45 22.20 8.4640 1 1 1 17.11 51.11 5.1831 2 2 0 20.99 8.55 4.2320 2 2 2 24.29 3.32 3.6650 4 0 0 26.50 16.44 3.3632 3 3 1 27.20 1.62 3.2781 4 2 0 29.86 10.48 2.9925 4 2 2 31.72 13.75 2.8213 5 1 1 31.72 2.51 2.8213 3 3 3 34.61 100.00 2.5915 4 4 0 36.78 1.48 2.4433 4 4 2 38.85 5.80 2.3179 6 2 0 40.34 2.05 2.2356 5 3 3 40.83 4.37 2.2101 6 2 2 42.73 50.15 2.1160 4 4 4 44.12 4.56 2.0528 7 1 1 44.12 3.77 2.0528 5 5 1 44.57 1.08 2.0330 6 4 0 46.35 12.59 1.9590 6 4 2 47.65 3.94 1.9086 7 3 1 49.76 41.37 1.8325 8 0 0 53.00 3.72 1.7277 8 2 2 54.18 5.08 1.6928 7 5 1 54.57 3.33 1.6816 6 6 2 56.11 8.10 1.6390 8 4 0 57.25 1.47 1.6091 9 1 1 59.12 3.06 1.5628 6 6 4 62.03 18.87 1.4962 8 4 4 63.10 1.29 1.4734 7 7 1 64.86 1.96 1.4375 8 6 2 64.86 1.49 1.4375 10 2 0 66.25 1.13 1.4107 6 6 6 70.35 1.70 1.3383 10 4 2 73.02 13.87 1.2958 8 8 0 74.01 2.13 1.2809 9 7 1 75.65 2.05 1.2571 10 6 0 78.25 2.57 1.2217 8 8 4 83.39 8.93 1.1590 12 4 0 85.94 1.24 1.1310 10 8 2 88.48 5.08 1.1050 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.