BaMo6S8 Kubel F, Yvon K Acta Crystallographica C46 (1990) 181-186 Structural phase transitions in Chevrel phases containing divalent metal cations. II. Structure refinement of triclinic EuMo6S8 and BaMo6S8 at low temperature Sample: T = 177 K _database_code_amcsd 0010096 CELL PARAMETERS: 6.6441 6.6441 6.6441 88.562 88.562 88.562 SPACE GROUP: R-3 X-RAY WAVELENGTH: 1.541838 Cell Volume: 293.025 Density (g/cm3): 5.493 MAX. ABS. INTENSITY / VOLUME**2: 75.97847587 RIR: 4.504 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 13.33 100.00 6.6400 1 0 0 6 18.67 51.80 4.7537 1 1 0 6 19.13 38.49 4.6388 0 -1 1 6 22.62 13.05 3.9311 1 1 1 2 23.39 15.55 3.8027 1 -1 1 6 29.79 7.64 2.9990 2 0 1 6 29.79 6.83 2.9990 2 1 0 6 30.39 47.99 2.9408 0 -1 2 6 30.39 7.12 2.9408 -1 0 2 6 32.34 2.53 2.7678 2 1 1 6 33.18 25.70 2.6998 1 -1 2 6 33.18 13.12 2.6998 2 -1 1 6 33.46 6.38 2.6782 1 -2 1 6 37.85 7.17 2.3769 2 2 0 6 38.83 4.31 2.3194 0 -2 2 6 39.83 37.62 2.2631 2 2 1 6 40.77 3.72 2.2133 2 -1 2 6 41.23 43.15 2.1896 1 -2 2 6 42.75 36.49 2.1154 3 0 1 6 42.75 2.35 2.1154 3 1 0 6 43.41 17.70 2.0845 -1 0 3 6 43.41 4.21 2.0845 0 -1 3 6 44.55 1.22 2.0340 3 1 1 6 45.40 27.71 1.9976 3 -1 1 6 45.40 44.73 1.9976 1 -1 3 6 46.19 12.58 1.9655 2 2 2 2 50.09 15.55 1.8211 0 -2 3 6 50.42 1.09 1.8098 3 2 1 6 51.40 12.92 1.7777 3 -1 2 6 51.98 4.44 1.7593 3 -2 1 6 51.98 12.34 1.7593 1 -2 3 6 52.17 4.87 1.7533 2 -3 1 6 52.17 1.04 1.7533 1 -3 2 6 55.34 1.97 1.6600 4 0 0 6 55.75 6.25 1.6489 3 2 2 6 56.84 2.13 1.6198 4 0 1 6 57.56 1.30 1.6012 0 -1 4 6 57.56 2.45 1.6012 2 -2 3 6 59.11 19.69 1.5629 4 -1 1 6 60.55 1.03 1.5292 3 -1 3 6 61.88 1.53 1.4995 4 0 2 6 61.88 12.18 1.4995 4 2 0 6 63.11 2.36 1.4732 4 1 2 6 65.12 2.56 1.4324 -1 -2 4 6 66.73 1.09 1.4017 3 -3 2 6 66.73 1.27 1.4017 2 -3 3 6 69.65 1.42 1.3499 2 -2 4 6 70.01 3.13 1.3439 4 3 0 6 70.01 2.67 1.3439 4 0 3 6 70.30 15.59 1.3391 2 -4 2 6 70.97 4.67 1.3280 5 0 0 6 71.09 6.20 1.3262 4 3 1 6 71.93 3.47 1.3127 -3 0 4 6 73.34 1.08 1.2908 5 1 1 6 73.47 2.89 1.2889 1 -3 4 6 73.63 2.95 1.2866 3 -4 1 6 74.92 1.26 1.2676 -1 -1 5 6 76.62 1.20 1.2436 5 2 0 6 76.62 1.71 1.2436 5 0 2 6 77.55 1.38 1.2309 3 -2 4 6 77.55 6.58 1.2309 4 -2 3 6 77.66 2.76 1.2295 5 2 1 6 77.66 1.19 1.2295 5 1 2 6 78.17 1.31 1.2227 -2 0 5 6 78.48 2.70 1.2187 3 -4 2 6 79.51 2.45 1.2054 1 -2 5 6 79.98 1.50 1.1996 -1 -2 5 6 81.84 1.31 1.1770 5 2 2 6 82.71 2.81 1.1668 4 3 3 6 83.06 1.13 1.1628 4 -1 4 6 84.08 5.51 1.1513 5 3 0 6 84.88 1.38 1.1424 4 -4 1 6 85.02 8.81 1.1409 5 1 3 6 86.35 3.39 1.1267 -3 0 5 6 87.75 4.17 1.1123 5 -3 1 6 87.75 2.32 1.1123 1 -3 5 6 88.31 3.37 1.1067 6 0 0 6 88.31 3.38 1.1067 4 -2 4 6 89.40 2.04 1.0960 6 1 0 6 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.