Sakhaite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R060897 Yakubovich O V, Egorov-Tismenko Y 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: 14.6320 14.6320 14.6320 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: 14.98782265 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 10.47 22.25 8.4478 1 1 1 17.14 51.18 5.1732 2 2 0 21.03 8.56 4.2239 2 2 2 24.33 3.32 3.6580 4 0 0 26.55 16.43 3.3568 3 3 1 27.26 1.62 3.2718 4 2 0 29.92 10.49 2.9867 4 2 2 31.78 13.75 2.8159 5 1 1 31.78 2.51 2.8159 3 3 3 34.68 100.00 2.5866 4 4 0 36.86 1.48 2.4387 4 4 2 38.93 5.80 2.3135 6 2 0 40.42 2.05 2.2314 5 3 3 40.91 4.37 2.2059 6 2 2 42.82 50.08 2.1119 4 4 4 44.20 4.56 2.0489 7 1 1 44.20 3.76 2.0489 5 5 1 44.66 1.08 2.0291 6 4 0 46.44 12.58 1.9553 6 4 2 47.74 3.94 1.9049 7 3 1 49.86 41.29 1.8290 8 0 0 53.11 3.72 1.7244 8 2 2 54.30 5.07 1.6896 7 5 1 54.69 3.33 1.6784 6 6 2 56.23 8.08 1.6359 8 4 0 57.37 1.46 1.6061 9 1 1 59.24 3.05 1.5598 6 6 4 62.16 18.84 1.4934 8 4 4 63.23 1.28 1.4706 7 7 1 65.00 1.96 1.4348 8 6 2 65.00 1.48 1.4348 10 2 0 66.40 1.13 1.4080 6 6 6 70.50 1.70 1.3357 10 4 2 73.18 13.83 1.2933 8 8 0 74.17 2.12 1.2784 9 7 1 75.82 2.05 1.2547 10 6 0 78.43 2.57 1.2193 8 8 4 83.59 8.91 1.1568 12 4 0 86.14 1.24 1.1289 10 8 2 88.69 5.07 1.1029 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.