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 1005008 _database_code_amcsd 0013727 CELL PARAMETERS: 6.7159 6.7110 9.5198 90.000 90.000 90.000 SPACE GROUP: Pbnm X-RAY WAVELENGTH: 1.541838 Cell Volume: 429.061 Density (g/cm3): 3.238 MAX. ABS. INTENSITY / VOLUME**2: 28.51141414 RIR: 2.868 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 18.64 3.04 4.7599 0 0 2 2 18.69 6.98 4.7471 1 1 0 4 20.91 1.12 4.2482 1 1 1 8 26.52 25.25 3.3612 1 1 2 8 26.54 7.46 3.3579 2 0 0 2 26.56 8.39 3.3555 0 2 0 2 29.75 4.70 3.0030 2 1 0 4 29.76 4.08 3.0017 1 2 0 4 31.17 6.36 2.8691 1 0 3 4 31.23 3.24 2.8639 2 1 1 8 31.24 2.97 2.8628 1 2 1 8 32.64 95.96 2.7439 2 0 2 4 32.65 100.00 2.7425 0 2 2 4 33.98 1.46 2.6381 1 1 3 8 35.34 4.78 2.5398 2 1 2 8 35.35 5.00 2.5390 1 2 2 8 37.80 42.99 2.3800 0 0 4 2 37.91 77.94 2.3736 2 2 0 4 39.07 1.24 2.3056 0 2 3 4 39.11 1.16 2.3031 2 2 1 8 41.41 1.01 2.1806 1 2 3 8 41.44 2.11 2.1792 3 0 1 4 42.49 2.43 2.1275 1 1 4 8 42.56 3.21 2.1241 2 2 2 8 42.57 1.01 2.1236 3 1 0 4 43.70 2.47 2.0715 1 3 1 8 46.79 4.23 1.9417 2 0 4 4 46.80 4.63 1.9412 0 2 4 4 46.85 10.71 1.9393 3 1 2 8 46.87 7.14 1.9384 1 3 2 8 48.83 1.42 1.8652 2 1 4 8 48.84 1.22 1.8649 1 2 4 8 49.78 1.21 1.8318 1 0 5 4 52.80 1.04 1.7338 2 3 2 8 54.61 41.34 1.6806 2 2 4 8 54.67 8.59 1.6790 4 0 0 2 54.71 9.87 1.6777 0 4 0 2 56.50 1.67 1.6288 4 1 0 4 56.54 1.76 1.6277 1 4 0 4 57.30 2.90 1.6078 1 2 5 8 57.37 2.53 1.6061 3 2 3 8 57.40 1.04 1.6054 4 1 1 8 58.23 1.14 1.5845 3 1 4 8 58.31 2.02 1.5824 3 3 0 4 58.31 1.21 1.5823 0 4 2 4 60.03 2.69 1.5410 4 1 2 8 60.07 2.34 1.5402 1 4 2 8 61.63 2.33 1.5048 1 1 6 8 61.78 1.12 1.5016 3 3 2 8 61.79 1.65 1.5015 4 2 0 4 61.82 2.01 1.5008 2 4 0 4 64.22 1.44 1.4503 3 0 5 4 65.01 7.97 1.4346 2 0 6 4 65.02 8.29 1.4344 0 2 6 4 65.15 12.26 1.4319 4 2 2 8 65.17 13.77 1.4314 2 4 2 8 65.97 1.16 1.4161 3 3 3 8 68.38 7.02 1.3719 4 0 4 4 68.42 8.02 1.3713 0 4 4 4 69.25 1.26 1.3567 2 4 3 8 70.00 1.08 1.3441 4 1 4 8 70.03 1.15 1.3435 1 4 4 8 70.67 1.14 1.3329 1 0 7 4 71.53 1.69 1.3191 2 2 6 8 71.61 1.92 1.3177 3 3 4 8 71.65 1.32 1.3171 5 1 0 4 72.50 1.04 1.3038 1 5 1 8 74.68 2.25 1.2710 3 1 6 8 74.70 1.55 1.2708 1 3 6 8 74.76 2.17 1.2699 4 2 4 8 74.78 2.57 1.2695 2 4 4 8 74.79 2.08 1.2694 5 1 2 8 80.76 2.28 1.1900 0 0 8 2 81.02 3.18 1.1868 4 4 0 4 83.98 1.58 1.1524 5 1 4 8 86.84 1.17 1.1216 2 0 8 4 86.85 1.23 1.1215 0 2 8 4 87.07 3.43 1.1193 5 3 2 8 87.10 2.23 1.1189 3 5 2 8 89.16 1.11 1.0983 3 2 7 8 89.97 3.66 1.0906 4 2 6 8 89.99 4.08 1.0903 2 4 6 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.