As Ca3 N Chern M, DiSalvo F, Parise J, Goldstone J Journal of Solid State Chemistry 96 (1992) 426-435 The structural distorsion of the anti-perovskite nitride Ca3AsN _cod_database_code 1005009 _database_code_amcsd 0013728 CELL PARAMETERS: 6.7250 6.7198 9.5335 90.000 90.000 90.000 SPACE GROUP: Pbnm X-RAY WAVELENGTH: 1.541838 Cell Volume: 430.825 Density (g/cm3): 3.224 MAX. ABS. INTENSITY / VOLUME**2: 29.41496816 RIR: 2.971 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 18.61 2.66 4.7667 0 0 2 2 18.67 6.25 4.7535 1 1 0 4 26.48 24.94 3.3659 1 1 2 8 26.51 7.15 3.3625 2 0 0 2 26.53 8.06 3.3599 0 2 0 2 29.71 3.59 3.0070 2 1 0 4 29.72 3.29 3.0057 1 2 0 4 31.13 4.30 2.8732 1 0 3 4 31.19 2.30 2.8678 2 1 1 8 31.20 2.06 2.8666 1 2 1 8 32.59 96.68 2.7477 2 0 2 4 32.61 100.00 2.7463 0 2 2 4 35.29 3.75 2.5433 2 1 2 8 35.30 4.10 2.5424 1 2 2 8 37.74 43.00 2.3834 0 0 4 2 37.85 79.17 2.3767 2 2 0 4 41.38 1.56 2.1822 3 0 1 4 42.43 2.26 2.1306 1 1 4 8 42.50 2.96 2.1270 2 2 2 8 43.64 1.06 2.0742 1 3 1 8 46.72 3.68 1.9445 2 0 4 4 46.73 4.05 1.9440 0 2 4 4 46.78 9.17 1.9420 3 1 2 8 46.80 7.02 1.9410 1 3 2 8 48.75 1.20 1.8678 2 1 4 8 48.76 1.09 1.8675 1 2 4 8 54.53 43.33 1.6829 2 2 4 8 54.59 9.33 1.6812 4 0 0 2 54.63 10.50 1.6799 0 4 0 2 56.42 1.34 1.6310 4 1 0 4 56.46 1.46 1.6299 1 4 0 4 57.22 2.06 1.6101 1 2 5 8 57.28 1.89 1.6083 3 2 3 8 58.14 1.01 1.5867 3 1 4 8 58.23 1.66 1.5845 3 3 0 4 58.23 1.17 1.5844 0 4 2 4 59.94 2.19 1.5431 4 1 2 8 59.98 2.00 1.5422 1 4 2 8 61.54 2.27 1.5070 1 1 6 8 61.69 1.33 1.5036 3 3 2 8 61.69 1.59 1.5035 4 2 0 4 61.73 2.00 1.5028 2 4 0 4 64.12 1.08 1.4524 3 0 5 4 64.91 8.63 1.4366 2 0 6 4 64.92 8.92 1.4364 0 2 6 4 65.05 13.99 1.4339 4 2 2 8 65.08 15.46 1.4333 2 4 2 8 68.27 7.80 1.3738 4 0 4 4 68.31 8.77 1.3731 0 4 4 4 69.92 1.05 1.3454 1 4 4 8 71.41 1.35 1.3209 2 2 6 8 71.50 1.68 1.3195 3 3 4 8 71.54 1.01 1.3188 5 1 0 4 74.55 2.01 1.2728 3 1 6 8 74.57 1.59 1.2726 1 3 6 8 74.64 2.02 1.2716 4 2 4 8 74.67 2.46 1.2712 2 4 4 8 74.67 1.79 1.2711 5 1 2 8 80.62 2.51 1.1917 0 0 8 2 80.89 3.78 1.1884 4 4 0 4 83.84 1.25 1.1540 5 1 4 8 86.92 2.85 1.1208 5 3 2 8 86.96 2.14 1.1204 3 5 2 8 89.81 4.37 1.0921 4 2 6 8 89.83 4.83 1.0918 2 4 6 8 89.91 1.57 1.0911 6 0 2 4 90.00 2.14 1.0903 0 6 2 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.