Sb2MoO6 Laarif A, Theobald F R, Vivier H, Hewat A W Zeitschrift fur Kristallographie 167 (1984) 117-124 Crystal structure of Sb2MoO6 Note: neutron diffraction refinement Note: y-coordinate for O9 changed to match magnitude in the X-ray refinement as well as the reported bond lengths Note: synthetic polymorph of biehlite _database_code_amcsd 0010868 CELL PARAMETERS: 7.4774 7.5017 10.1259 70.374 70.889 83.246 SPACE GROUP: P-1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 505.492 Density (g/cm3): 5.721 MAX. ABS. INTENSITY / VOLUME**2: 57.99066900 RIR: 3.301 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 13.22 1.25 6.6982 0 1 1 2 20.30 15.51 4.3740 -1 1 1 2 20.41 16.58 4.3504 1 -1 1 2 23.96 2.92 3.7140 0 2 1 2 24.06 2.48 3.6992 2 0 1 2 25.21 1.54 3.5328 0 2 0 2 25.21 1.96 3.5325 2 0 0 2 25.55 1.11 3.4870 1 2 1 2 26.50 9.51 3.3631 -1 1 2 2 26.62 94.58 3.3491 0 2 2 2 26.64 1.67 3.3464 1 2 2 2 26.68 7.28 3.3417 1 -1 2 2 26.79 100.00 3.3277 2 0 2 2 28.14 2.54 3.1707 1 2 0 2 28.34 2.09 3.1490 -1 2 0 2 28.34 1.56 3.1488 -2 1 0 2 28.62 1.05 3.1186 -1 2 1 2 29.53 67.26 3.0249 0 0 3 2 29.83 59.83 2.9950 -2 0 1 2 29.91 61.13 2.9876 0 -2 1 2 31.06 1.07 2.8790 1 2 3 2 31.28 1.62 2.8593 -2 1 1 2 32.21 1.55 2.7787 2 2 2 2 32.54 46.81 2.7519 2 2 1 2 34.89 4.10 2.5713 2 2 3 2 35.79 6.95 2.5088 2 2 0 2 36.11 19.44 2.4873 -2 2 0 2 36.99 2.09 2.4301 1 3 2 2 37.04 1.16 2.4271 1 -2 2 2 37.12 1.24 2.4218 3 1 2 2 37.77 1.20 2.3818 1 2 4 2 38.14 2.19 2.3595 -1 2 3 2 39.64 4.15 2.2737 -1 3 1 2 39.76 2.97 2.2669 3 -1 1 2 39.84 3.18 2.2626 0 2 4 2 40.05 18.89 2.2514 2 2 4 2 40.08 2.83 2.2495 2 0 4 2 40.26 2.50 2.2401 1 3 0 2 40.26 3.34 2.2400 3 1 0 2 40.48 1.41 2.2286 -1 3 0 2 40.48 2.21 2.2284 -3 1 0 2 45.36 1.21 1.9994 -3 -1 1 2 45.39 5.04 1.9981 -1 3 3 2 45.41 1.52 1.9973 -1 -3 1 2 45.72 5.86 1.9846 3 -1 3 2 45.93 1.19 1.9757 1 2 5 2 47.16 12.59 1.9273 -2 2 3 2 47.47 14.67 1.9152 2 -2 3 2 48.48 1.01 1.8776 -3 2 1 2 48.59 14.41 1.8736 0 2 5 2 48.64 16.93 1.8718 -2 -2 2 2 48.85 16.26 1.8643 2 0 5 2 48.86 1.46 1.8641 -3 1 2 2 49.01 1.38 1.8588 1 4 2 2 49.06 2.01 1.8569 1 -3 2 2 49.34 11.21 1.8471 0 4 1 2 49.44 12.45 1.8434 4 0 1 2 50.54 1.44 1.8061 1 3 5 2 50.79 1.00 1.7977 3 1 5 2 51.31 3.12 1.7806 -1 3 4 2 51.71 2.15 1.7678 3 -1 4 2 52.48 1.99 1.7435 2 4 2 2 52.58 1.72 1.7404 4 2 2 2 52.62 1.52 1.7392 -1 4 2 2 52.65 10.50 1.7383 2 4 3 2 52.80 11.63 1.7338 4 2 3 2 53.16 1.10 1.7229 1 4 4 2 53.59 1.14 1.7102 -1 4 0 2 54.37 12.14 1.6873 -2 0 4 2 54.56 13.52 1.6819 0 -2 4 2 54.82 6.82 1.6745 0 4 4 2 55.20 9.03 1.6639 4 0 4 2 55.29 1.73 1.6616 2 2 6 2 55.72 2.44 1.6498 -3 1 3 2 56.00 1.74 1.6422 1 -3 3 2 56.34 2.36 1.6331 -3 3 1 2 56.48 3.80 1.6294 3 -3 1 2 58.19 5.62 1.5853 2 4 0 2 58.20 5.83 1.5853 4 2 0 2 58.98 1.62 1.5661 2 4 5 2 59.20 2.24 1.5607 -3 3 2 2 59.21 1.35 1.5606 4 2 5 2 59.26 2.76 1.5593 -2 4 2 2 59.47 1.12 1.5543 3 -3 2 2 59.53 3.58 1.5528 4 -2 2 2 61.06 3.78 1.5176 -4 2 1 2 61.19 3.98 1.5147 2 -4 1 2 61.29 7.01 1.5124 0 0 6 2 61.97 4.24 1.4975 -4 0 2 2 62.14 4.51 1.4938 0 -4 2 2 63.68 1.04 1.4614 -4 -2 1 2 63.72 1.16 1.4606 -2 -4 1 2 63.98 1.72 1.4552 1 5 1 2 64.07 1.32 1.4534 5 1 1 2 64.36 1.78 1.4475 1 5 4 2 64.65 7.82 1.4417 2 2 7 2 64.71 1.39 1.4405 5 1 4 2 64.76 3.03 1.4395 2 4 6 2 65.02 3.84 1.4344 4 2 6 2 65.43 1.67 1.4265 -1 5 2 2 65.69 2.16 1.4214 5 -1 2 2 65.75 1.14 1.4202 -1 4 5 2 66.43 1.18 1.4073 -3 4 0 2 66.88 1.54 1.3989 4 4 3 2 66.98 1.19 1.3971 -1 5 3 2 67.40 1.47 1.3894 4 4 4 2 68.15 2.68 1.3759 4 4 2 2 69.70 2.99 1.3492 4 4 5 2 70.57 1.69 1.3347 3 -3 4 2 71.39 1.90 1.3212 -5 1 1 2 71.51 1.40 1.3193 1 -5 1 2 73.00 2.73 1.2960 -2 2 6 2 73.49 3.78 1.2886 2 -2 6 2 73.71 1.06 1.2854 -2 4 5 2 74.31 1.91 1.2764 4 -2 5 2 75.85 1.02 1.2543 5 -1 5 2 76.07 1.05 1.2512 0 4 7 2 76.63 1.88 1.2435 4 0 7 2 77.37 3.07 1.2334 -2 -2 5 2 77.76 1.08 1.2281 -3 3 5 2 78.79 1.13 1.2147 -3 5 1 2 79.07 2.15 1.2111 -4 -2 3 2 79.18 2.24 1.2097 -2 -4 3 2 79.29 1.51 1.2083 4 4 7 2 79.38 1.29 1.2072 -3 5 0 2 79.38 2.24 1.2071 -5 3 0 2 79.71 1.25 1.2030 6 2 2 2 80.27 2.01 1.1960 0 2 8 2 80.59 2.56 1.1921 2 0 8 2 81.29 1.09 1.1835 6 2 5 2 82.10 2.20 1.1739 -4 -4 1 2 83.12 1.17 1.1621 5 -3 3 2 87.84 1.82 1.1114 -2 0 7 2 88.05 1.03 1.1092 6 0 6 2 88.11 2.17 1.1087 0 -2 7 2 88.29 1.15 1.1069 -4 0 5 2 88.67 1.58 1.1031 0 -4 5 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.