Cu3 N5 Sr6 DiSalvo F, Trail S, Yamane H, Brese N Journal of Alloys and Compounds 255 (1997) 122-129 The crystal structure of Sr6 Cu3 N5 with isolated, bent (Cu(I)2 N3)(7-) anions and the single crystal structural determination of Sr Cu N _cod_database_code 1005039 _database_code_amcsd 0012787 CELL PARAMETERS: 8.6570 8.6570 7.3340 90.000 90.000 90.000 SPACE GROUP: P4_2mc X-RAY WAVELENGTH: 1.541838 Cell Volume: 549.637 Density (g/cm3): 4.751 MAX. ABS. INTENSITY / VOLUME**2: 96.68016014 RIR: 6.626 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 10.22 2.28 8.6570 1 0 0 4 15.84 1.45 5.5959 1 0 1 4 23.87 12.16 3.7277 2 0 1 4 24.27 1.16 3.6670 0 0 2 1 26.03 3.52 3.4238 2 1 1 8 26.40 2.99 3.3766 1 0 2 4 29.18 39.35 3.0607 2 2 0 4 30.99 20.53 2.8857 3 0 0 4 31.99 100.00 2.7979 2 0 2 4 33.37 7.34 2.6853 3 0 1 4 33.66 6.74 2.6623 2 1 2 8 34.99 3.88 2.5647 3 1 1 8 37.46 2.84 2.4010 3 2 0 8 38.26 5.44 2.3527 1 0 3 4 38.30 5.12 2.3498 2 2 2 4 39.49 10.43 2.2818 3 2 1 8 39.75 1.03 2.2677 3 0 2 4 41.15 5.88 2.1937 3 1 2 8 41.73 18.06 2.1642 4 0 0 4 43.08 2.61 2.0996 4 1 0 8 43.60 3.43 2.0758 4 0 1 4 44.40 3.42 2.0405 3 3 0 4 44.91 2.32 2.0185 4 1 1 8 45.14 16.94 2.0087 3 2 2 8 48.65 1.22 1.8717 4 2 1 8 48.86 1.26 1.8638 4 0 2 4 49.73 7.87 1.8335 0 0 4 1 50.02 1.83 1.8234 3 1 3 8 51.24 1.11 1.7830 3 3 2 4 52.88 1.88 1.7314 4 3 0 8 53.49 4.54 1.7130 3 2 3 8 53.53 13.84 1.7119 4 2 2 8 54.34 2.73 1.6883 2 0 4 4 54.45 7.64 1.6851 4 3 1 8 56.81 2.28 1.6205 4 0 3 4 57.31 3.55 1.6076 5 2 0 8 57.89 1.90 1.5928 4 1 3 8 58.70 6.51 1.5729 2 2 4 4 58.81 1.77 1.5703 5 2 1 8 59.00 1.90 1.5657 4 3 2 8 59.00 4.69 1.5657 5 0 2 4 59.76 3.72 1.5475 3 0 4 4 60.50 1.15 1.5304 4 4 0 4 63.15 3.71 1.4723 5 2 2 8 63.88 1.93 1.4572 3 2 4 8 64.43 1.05 1.4462 1 0 5 4 64.59 1.55 1.4428 6 0 0 4 65.99 1.78 1.4157 6 0 1 4 66.13 2.39 1.4129 4 3 3 8 66.13 1.14 1.4129 5 0 3 4 66.88 4.67 1.3990 4 0 4 4 67.86 2.12 1.3810 4 1 4 8 68.14 4.75 1.3762 5 3 2 8 68.39 1.21 1.3717 2 1 5 8 68.56 2.41 1.3688 6 2 0 8 68.84 2.23 1.3638 3 3 4 4 69.53 1.06 1.3520 5 4 0 8 69.91 2.22 1.3456 6 2 1 8 70.08 3.74 1.3426 6 0 2 4 70.78 3.03 1.3312 4 2 4 8 70.88 1.97 1.3296 5 4 1 8 72.25 1.03 1.3076 3 0 5 4 73.91 2.09 1.2824 6 2 2 8 74.68 1.02 1.2710 6 3 1 8 78.59 1.71 1.2173 6 3 2 8 79.25 1.96 1.2088 5 2 4 8 79.91 1.27 1.2005 6 4 0 8 80.40 1.07 1.1943 6 2 3 8 80.83 1.18 1.1891 7 2 0 8 81.32 1.56 1.1831 5 4 3 8 81.89 2.38 1.1763 2 0 6 4 82.02 1.25 1.1749 4 4 4 4 82.81 1.07 1.1656 2 1 6 8 84.99 1.49 1.1413 6 3 3 8 85.02 1.09 1.1409 6 4 2 8 85.55 1.79 1.1352 2 2 6 4 85.93 1.15 1.1311 7 2 2 8 89.31 1.20 1.0968 6 2 4 8 89.40 1.06 1.0960 6 5 1 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.