Warwickite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R120155 Moore P B, Araki T American Mineralogist 59 (1974) 985-1004 Pinakiolite, Mg2MnO2[BO3]; warwickite, Mg(Mg0.5Ti0.5)O[BO3]; wightmanite, Mg5(O)(OH)5[BO3].nH2O: Crystal chemistry of complex 3 Angstrom wallpaper structures Locality: Warwick, Orange County, New York, USA _database_code_amcsd 0000417 CELL PARAMETERS: 9.2590 9.3950 3.1099 90.000 90.000 90.000 SPACE GROUP: Pnam ATOM X Y Z OCCUPANCY ISO(B) Mg 0.11490 0.56950 0.25000 0.620 0.720 Ti 0.11490 0.56950 0.25000 0.380 0.720 Mg 0.10320 0.18990 0.25000 0.960 0.440 Ti 0.10320 0.18990 0.25000 0.040 0.440 B 0.16730 0.87530 0.25000 1.000 0.660 O 0.02060 0.86530 0.25000 1.000 1.070 O 0.24880 0.75070 0.25000 1.000 1.010 O 0.23530 0.00740 0.25000 1.000 0.840 O 0.01180 0.38420 0.25000 1.000 0.870 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 8 +/- 8 +/- 2 MAX. ABS. INTENSITY / VOLUME**2: 11.21154295 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.43 27.26 6.5947 1 1 0 19.17 1.56 4.6295 2 0 0 21.21 21.03 4.1892 1 2 0 30.12 25.38 2.9666 1 3 0 30.27 4.40 2.9524 0 1 1 31.81 2.99 2.8128 1 1 1 34.58 40.25 2.5939 2 3 0 34.75 100.00 2.5815 2 0 1 34.78 12.99 2.5794 3 2 0 36.08 15.38 2.4893 2 1 1 40.12 1.51 2.2475 4 1 0 40.90 7.97 2.2067 0 3 1 41.06 1.44 2.1982 3 3 0 42.09 2.26 2.1466 1 3 1 42.37 16.88 2.1334 3 1 1 43.19 28.09 2.0946 2 4 0 45.54 4.69 1.9920 2 3 1 45.70 27.31 1.9854 3 2 1 49.06 2.89 1.8569 4 0 1 49.50 9.24 1.8415 1 5 0 50.07 4.12 1.8216 4 1 1 50.21 3.06 1.8168 5 1 0 50.87 22.46 1.7951 3 3 1 52.56 3.83 1.7411 2 5 0 52.69 1.56 1.7373 2 4 1 53.17 1.79 1.7228 5 2 0 57.29 4.52 1.6082 0 5 1 57.72 26.83 1.5972 4 3 1 57.85 3.99 1.5940 5 3 0 58.23 9.40 1.5845 1 5 1 58.87 3.16 1.5688 5 1 1 59.44 22.48 1.5549 0 0 2 59.91 3.75 1.5439 1 6 0 59.94 1.23 1.5432 6 0 0 61.54 24.37 1.5070 5 2 1 63.85 2.04 1.4578 1 2 2 65.44 3.42 1.4262 3 5 1 65.84 1.41 1.4185 5 3 1 67.02 2.77 1.3964 3 6 0 67.69 2.87 1.3842 6 3 0 67.76 12.23 1.3829 1 6 1 67.79 1.49 1.3823 6 0 1 68.08 3.48 1.3772 1 3 2 70.63 7.30 1.3337 2 3 2 70.75 3.03 1.3317 3 2 2 71.42 2.04 1.3208 4 5 1 71.54 1.87 1.3189 5 5 0 73.42 3.27 1.2897 6 4 0 74.53 5.76 1.2732 7 2 0 76.26 4.72 1.2485 2 4 2 77.45 1.48 1.2323 0 7 1 78.27 2.11 1.2215 1 7 1 80.55 1.42 1.1925 6 5 0 80.92 3.15 1.1880 1 5 2 81.47 1.01 1.1814 5 1 2 83.32 1.56 1.1598 2 5 2 83.53 2.54 1.1574 8 0 0 87.63 1.73 1.1135 6 5 1 87.67 1.88 1.1131 5 3 2 89.44 1.92 1.0956 1 6 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.