Parasibirskite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R110009 Takahashi R, Kusachi I, Miura H Journal of Mineralogical and Petrological Sciences 105 (2010) 70-73 Crystal structure of parasibirskite (CaHBO3) and polymorphism in sibirskite and parasibirskite Locality: Fuka, Okayama Prefecture, Japan _database_code_amcsd 0013138 CELL PARAMETERS: 6.7220 5.4400 3.5566 90.000 92.920 90.000 SPACE GROUP: P2_1/m ATOM X Y Z OCCUPANCY ISO(B) Ca 0.14700 0.25000 0.25200 1.000 1.480 B 0.71600 0.25000 0.28000 1.000 0.900 OH 0.52300 0.25000 0.36700 1.000 1.370 O 0.81900 0.03000 0.24000 1.000 1.370 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 6 +/- 4 +/- 3 MAX. ABS. INTENSITY / VOLUME**2: 14.88711584 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.19 37.13 6.7133 1 0 0 21.02 13.53 4.2265 1 1 0 25.07 2.38 3.5520 0 0 1 26.56 9.54 3.3566 2 0 0 29.03 4.64 3.0755 1 0 1 30.05 100.00 2.9741 0 1 1 31.31 35.30 2.8566 2 1 0 32.40 2.16 2.7632 -1 1 1 32.93 10.12 2.7200 0 2 0 33.47 3.96 2.6773 1 1 1 37.80 5.40 2.3799 2 0 1 40.30 26.63 2.2378 3 0 0 41.41 1.77 2.1804 2 1 1 41.83 1.55 2.1595 0 2 1 42.79 1.71 2.1133 2 2 0 43.63 23.33 2.0746 -1 2 1 43.74 1.66 2.0695 3 1 0 44.47 10.08 2.0375 1 2 1 46.87 2.47 1.9384 -3 0 1 49.47 14.93 1.8423 -2 2 1 49.95 11.09 1.8259 -3 1 1 50.99 20.27 1.7911 2 2 1 51.45 11.18 1.7760 0 0 2 52.19 7.32 1.7526 3 1 1 52.26 4.87 1.7506 1 3 0 52.63 1.86 1.7390 -1 0 2 52.99 1.42 1.7281 3 2 0 54.08 1.79 1.6957 1 0 2 55.47 3.40 1.6564 -1 1 2 57.02 4.61 1.6150 0 3 1 57.79 7.82 1.5954 2 3 0 60.15 1.50 1.5385 -2 1 2 60.18 1.81 1.5378 2 0 2 62.79 4.09 1.4798 2 1 2 65.40 3.03 1.4270 -3 0 2 67.91 1.25 1.3803 -3 1 2 69.06 3.78 1.3600 0 4 0 69.19 1.83 1.3578 3 0 2 69.91 3.15 1.3455 -4 2 1 72.37 1.39 1.3057 4 2 1 72.51 2.38 1.3035 5 1 0 75.79 1.98 1.2551 -1 3 2 79.63 1.06 1.2040 5 2 0 79.84 1.33 1.2014 -2 3 2 82.19 2.20 1.1728 2 3 2 83.11 2.22 1.1622 3 4 0 83.57 1.13 1.1569 0 1 3 83.62 1.83 1.1564 -5 2 1 86.54 2.46 1.1247 5 2 1 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.