Mannardite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R130169 Shi N, Ma Z, Liu W Acta Petrologica et Mineralogica 10 (1991) 233-245 Crystal structure determination of ankangite with one dimensional incommensurate modulation Locality: Shiti barite deposit, Ankang County, Shaanxi, China _database_code_amcsd 0018318 CELL PARAMETERS: 10.0830 10.0830 2.9470 90.000 90.000 90.000 SPACE GROUP: I4/m ATOM X Y Z OCCUPANCY ISO(B) Ba 0.00000 0.00000 0.37900 0.295 2.600 Ti 0.16520 0.34940 0.00000 0.650 0.550 V 0.16520 0.34940 0.00000 0.350 0.550 O 0.20260 0.15560 0.00000 1.000 0.430 O 0.16730 0.53900 0.00000 1.000 0.570 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 9 +/- 9 +/- 2 MAX. ABS. INTENSITY / VOLUME**2: 44.32986416 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 17.59 6.58 5.0415 2 0 0 24.98 19.32 3.5649 2 2 0 27.98 65.55 3.1885 3 1 0 27.98 34.45 3.1885 1 3 0 31.63 5.11 2.8287 1 0 1 35.62 3.67 2.5208 4 0 0 36.42 11.21 2.4669 1 2 1 36.42 31.07 2.4669 2 1 1 39.99 11.60 2.2546 4 2 0 39.99 4.88 2.2546 2 4 0 40.72 31.23 2.2158 3 0 1 44.67 4.92 2.0286 2 3 1 45.89 5.21 1.9774 1 5 0 48.37 6.06 1.8819 4 1 1 48.37 18.45 1.8819 1 4 1 51.25 3.59 1.7824 4 4 0 52.95 2.38 1.7292 5 3 0 54.61 19.65 1.6805 6 0 0 58.39 6.06 1.5804 2 5 1 58.39 20.94 1.5804 5 2 1 63.09 5.82 1.4735 0 0 2 64.50 3.26 1.4448 1 6 1 64.59 1.15 1.4430 1 1 2 66.06 1.96 1.4143 2 0 2 67.43 16.06 1.3889 4 5 1 67.43 2.52 1.3889 5 4 1 70.30 1.23 1.3390 3 6 1 70.39 2.76 1.3376 3 1 2 71.22 2.54 1.3240 7 3 0 71.22 3.72 1.3240 3 7 0 74.60 2.38 1.2721 4 0 2 75.99 1.31 1.2523 3 3 2 80.90 2.86 1.1883 6 6 0 87.63 2.62 1.1135 9 1 0 88.19 4.48 1.1079 6 0 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.