Sohngeite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R120117 Scott J D American Mineralogist 56 (1971) 355-355 Crystal structure of a new mineral, sohngeite _database_code_amcsd 0000223 CELL PARAMETERS: 7.4670 7.4620 7.4680 90.000 90.000 90.000 SPACE GROUP: Pmn2_1 ATOM X Y Z OCCUPANCY ISO(B) Ga 0.25000 0.25000 0.25000 1.000 0.600 Ga 0.25000 0.25000 0.75000 1.000 0.600 OH 0.25000 0.25000 0.00000 1.000 1.000 OH 0.25000 0.25000 0.50000 1.000 1.000 OH 0.00000 0.25000 0.30000 1.000 1.000 OH 0.25000 0.00000 0.30000 1.000 1.000 OH 0.25000 0.50000 0.30000 1.000 1.000 OH 0.50000 0.25000 0.30000 1.000 1.000 OH 0.00000 0.75000 0.30000 1.000 1.000 OH 0.50000 0.75000 0.30000 1.000 1.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 6 +/- 6 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 70.61806329 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 23.83 47.62 3.7340 0 0 2 23.83 52.38 3.7335 2 0 0 23.85 52.29 3.7310 0 2 0 33.96 15.91 2.6402 2 0 2 33.97 15.90 2.6393 0 2 2 33.97 15.90 2.6391 2 2 0 41.92 7.65 2.1552 2 2 2 48.78 8.46 1.8670 0 0 4 48.78 11.37 1.8668 4 0 0 48.82 11.34 1.8655 0 4 0 54.99 8.58 1.6699 2 0 4 54.99 7.87 1.6697 4 0 2 55.00 8.57 1.6696 0 2 4 55.00 8.57 1.6694 4 2 0 55.03 7.86 1.6688 0 4 2 55.03 8.55 1.6688 2 4 0 60.77 10.90 1.5242 2 2 4 60.77 5.96 1.5241 4 2 2 60.80 5.95 1.5235 2 4 2 71.46 4.21 1.3201 4 0 4 71.49 4.20 1.3196 0 4 4 71.50 5.48 1.3195 4 4 0 76.55 1.33 1.2445 6 0 0 76.55 5.33 1.2445 4 2 4 76.58 5.33 1.2442 2 4 4 76.58 4.93 1.2441 4 4 2 76.61 1.33 1.2437 0 6 0 81.52 1.19 1.1808 2 0 6 81.53 1.19 1.1807 0 2 6 81.53 1.19 1.1807 6 0 2 81.54 1.19 1.1806 6 2 0 81.59 1.19 1.1799 0 6 2 81.59 1.19 1.1799 2 6 0 86.44 2.70 1.1257 2 2 6 86.45 1.15 1.1256 6 2 2 86.50 1.15 1.1251 2 6 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.