Qilianshanite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R100019 Wang L, Zhou K, Shi J Geological Review 40 (1994) 347-353 Refinement of the qilianshanite structure Locality: Qinghai Province, China CELL PARAMETERS: 16.1470 6.9423 6.7483 90.000 100.574 90.000 SPACE GROUP: C2 ATOM X Y Z OCCUPANCY ISO(B) Na 0.50000 0.00000 0.50000 1.000 2.400 Na 0.50000 0.00300 0.00000 1.000 2.500 C 0.69010 0.00500 0.32600 1.000 3.600 B 0.81900 0.00700 -0.10500 1.000 1.900 OH 0.73710 -0.00200 -0.15700 1.000 3.600 OH 0.85990 0.00100 0.08000 1.000 2.900 OH 0.86450 0.00000 -0.25800 1.000 2.900 O 0.64450 0.02400 0.47400 1.000 3.400 OH 0.77230 -0.00400 0.37200 1.000 3.400 O 0.64780 0.01400 0.13700 1.000 3.600 Wa 0.48300 0.25100 0.24100 1.000 4.000 Wa 0.99000 0.26600 0.24100 1.000 2.100 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 14 +/- 6 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 2.859531491 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.35 6.37 6.6337 0 0 1 13.92 52.83 6.3605 1 1 0 15.76 22.62 5.6228 -2 0 1 18.60 2.42 4.7697 -1 1 1 18.94 9.95 4.6844 2 0 1 20.04 22.41 4.4312 1 1 1 21.11 22.49 4.2081 3 1 0 22.40 16.87 3.9682 4 0 0 23.32 12.18 3.8142 -3 1 1 23.93 16.92 3.7194 -4 0 1 25.66 100.00 3.4711 0 2 0 26.69 9.24 3.3398 3 1 1 26.88 6.31 3.3169 0 0 2 27.17 2.22 3.2821 -2 0 2 28.06 99.61 3.1803 2 2 0 28.24 3.30 3.1596 4 0 1 30.26 13.03 2.9537 -2 2 1 30.97 13.11 2.8870 5 1 0 31.32 36.50 2.8561 1 1 2 31.82 37.18 2.8121 -3 1 2 31.83 6.34 2.8114 -4 0 2 32.09 14.94 2.7889 2 2 1 33.88 34.85 2.6455 6 0 0 34.11 5.43 2.6289 -6 0 1 34.32 19.45 2.6126 4 2 0 35.94 2.50 2.4990 5 1 1 36.87 6.23 2.4377 3 1 2 37.50 24.45 2.3981 0 2 2 37.72 32.10 2.3848 -2 2 2 37.74 7.96 2.3835 -5 1 2 38.43 1.35 2.3422 4 0 2 38.53 1.32 2.3366 4 2 1 38.90 7.56 2.3154 6 0 1 39.35 1.40 2.2899 1 3 0 40.72 26.44 2.2156 2 2 2 40.81 1.75 2.2112 0 0 3 41.33 12.35 2.1847 -4 2 2 41.74 1.16 2.1639 -7 1 1 41.91 3.00 2.1555 7 1 0 42.08 1.78 2.1471 1 3 1 42.27 1.41 2.1379 -1 1 3 42.64 1.82 2.1202 3 3 0 43.02 1.22 2.1026 -4 0 3 43.36 6.15 2.0869 -3 1 3 43.86 1.52 2.0640 -3 3 1 44.35 8.61 2.0426 1 1 3 44.93 7.56 2.0173 5 1 2 45.73 14.43 1.9841 8 0 0 46.04 8.03 1.9713 -7 1 2 46.52 4.37 1.9523 7 1 1 46.79 9.13 1.9415 4 2 2 47.43 2.31 1.9167 -5 1 3 47.69 17.30 1.9071 -6 2 2 48.69 1.47 1.8700 5 3 0 48.93 8.46 1.8615 1 3 2 49.28 9.25 1.8492 -3 3 2 52.08 1.87 1.7560 2 2 3 52.73 5.69 1.7359 -8 2 1 52.74 22.28 1.7356 0 4 0 53.17 1.45 1.7226 8 2 0 53.98 1.31 1.6987 -7 1 3 54.40 5.08 1.6865 -2 0 4 54.68 2.32 1.6785 7 1 2 54.99 4.88 1.6699 6 2 2 55.40 1.06 1.6584 0 0 4 55.96 2.37 1.6431 -9 1 2 56.11 4.01 1.6392 -8 2 2 56.29 1.68 1.6344 -1 1 4 56.49 1.24 1.6291 5 1 3 57.14 1.79 1.6121 -10 0 1 57.37 3.08 1.6062 8 2 1 57.79 1.18 1.5955 4 2 3 58.00 1.66 1.5901 4 4 0 58.01 1.38 1.5899 -3 3 3 58.70 1.01 1.5728 -4 4 1 58.82 1.83 1.5700 1 3 3 58.95 5.48 1.5668 2 0 4 59.30 2.90 1.5585 5 3 2 59.46 2.44 1.5545 -5 1 4 60.17 4.77 1.5379 -6 0 4 60.21 2.89 1.5370 -7 3 2 60.60 1.34 1.5279 7 3 1 62.02 1.30 1.4964 0 2 4 62.61 1.47 1.4836 -4 2 4 63.19 1.18 1.4714 3 1 4 64.18 4.67 1.4512 6 4 0 64.56 1.47 1.4435 10 2 0 64.84 1.89 1.4379 8 2 2 66.15 1.06 1.4127 -10 2 2 67.44 1.13 1.3887 6 4 1 67.62 1.13 1.3855 7 3 2 68.75 1.26 1.3654 -9 3 2 72.33 2.89 1.3063 8 4 0 76.22 1.01 1.2491 9 1 3 79.19 1.62 1.2095 -2 4 4 83.04 1.81 1.1630 2 4 4 84.10 1.59 1.1510 -6 4 4 84.46 1.27 1.1470 -13 1 3 86.43 1.33 1.1258 10 2 3 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.