Ba9N12Nb2 Clarke S J, DiSalvo F J Zeitschrift fur Kristallographie 212 (1997) 309-310 Crystal structure of nonabarium bis(tetranitridoniobate)nitride azide, Ba9[NbN4]2N[N3] _database_code_amcsd 0011071 CELL PARAMETERS: 7.9979 9.6273 12.6441 75.867 85.690 87.868 SPACE GROUP: P-1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 941.255 Density (g/cm3): 5.609 MAX. ABS. INTENSITY / VOLUME**2: 47.15382567 RIR: 2.737 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 7.23 3.04 12.2329 0 0 1 2 9.48 9.69 9.3341 0 1 0 2 10.44 4.08 8.4766 0 1 1 2 14.48 2.51 6.1164 0 0 2 2 15.28 1.71 5.8004 0 1 2 2 18.64 1.43 4.7615 0 2 1 2 19.18 2.18 4.6278 0 -1 2 2 19.60 1.39 4.5282 -1 1 2 2 21.29 3.96 4.1743 1 2 1 2 21.80 2.39 4.0776 0 0 3 2 21.97 1.24 4.0463 0 -2 1 2 22.30 3.17 3.9869 2 0 0 2 22.99 4.94 3.8692 2 0 1 2 23.12 2.12 3.8475 1 2 2 2 23.94 3.93 3.7167 -2 0 1 2 24.42 2.60 3.6456 -1 2 2 2 24.45 1.20 3.6409 -2 1 0 2 24.73 1.22 3.6001 -1 -2 1 2 25.20 9.80 3.5341 -1 0 3 2 25.30 3.12 3.5208 -2 1 1 2 25.75 7.05 3.4593 2 -1 1 2 25.88 18.91 3.4432 0 -1 3 2 26.30 22.92 3.3891 -2 -1 1 2 26.91 2.16 3.3135 1 2 3 2 27.53 10.29 3.2404 -2 0 2 2 27.70 1.02 3.2207 1 -1 3 2 27.82 54.03 3.2066 0 3 1 2 28.12 5.95 3.1738 -2 1 2 2 28.43 69.02 3.1399 0 1 4 2 28.44 7.79 3.1378 -1 2 3 2 28.53 12.32 3.1292 2 2 1 2 28.69 31.98 3.1114 0 3 0 2 28.76 9.47 3.1046 -1 -1 3 2 28.94 100.00 3.0852 2 -1 2 2 29.17 1.75 3.0610 2 2 0 2 29.20 13.12 3.0582 0 0 4 2 29.22 1.11 3.0558 -1 -2 2 2 29.63 1.28 3.0150 1 3 1 2 29.75 59.58 3.0029 2 2 2 2 29.77 1.37 3.0010 1 1 4 2 30.20 44.52 2.9598 -2 -1 2 2 30.27 2.62 2.9531 2 0 3 2 30.44 2.74 2.9370 1 3 2 2 30.44 5.02 2.9367 -1 3 1 2 30.83 8.91 2.9002 0 2 4 2 31.06 5.37 2.8796 -1 3 0 2 31.33 18.35 2.8547 0 -3 1 2 31.59 1.29 2.8322 -1 3 2 2 31.59 1.99 2.8319 -2 -2 1 2 31.67 2.85 2.8255 0 3 3 2 31.80 70.74 2.8142 -2 2 2 2 32.02 4.27 2.7953 1 2 4 2 32.47 29.87 2.7575 0 -2 3 2 32.66 36.00 2.7418 2 2 3 2 32.94 2.11 2.7194 1 3 3 2 32.96 6.73 2.7179 0 -1 4 2 33.32 1.55 2.6893 -1 -3 1 2 33.36 3.33 2.6860 1 -3 1 2 33.52 1.82 2.6734 2 -1 3 2 34.71 1.79 2.5845 3 1 1 2 35.00 3.12 2.5640 2 1 4 2 35.03 9.43 2.5613 -3 0 1 2 35.22 4.50 2.5483 -2 2 3 2 35.29 1.27 2.5433 -3 1 0 2 35.29 5.83 2.5433 -2 -1 3 2 35.46 3.34 2.5317 -2 -2 2 2 36.06 5.19 2.4904 -3 1 1 2 36.56 4.70 2.4578 1 1 5 2 36.62 1.75 2.4536 -2 3 1 2 37.13 3.55 2.4215 0 2 5 2 37.34 2.21 2.4081 -1 -3 2 2 37.76 1.46 2.3822 -2 3 2 2 37.81 1.13 2.3791 -3 0 2 2 37.99 2.78 2.3686 1 2 5 2 38.29 1.34 2.3504 -2 0 4 2 38.42 4.28 2.3428 -1 3 4 2 38.66 1.62 2.3292 3 2 0 2 38.76 12.60 2.3232 -2 -3 1 2 38.84 2.18 2.3189 2 -3 1 2 38.92 12.22 2.3139 0 -2 4 2 39.58 4.24 2.2770 0 4 3 2 40.30 2.62 2.2378 -2 3 3 2 40.49 1.26 2.2279 -1 4 0 2 40.51 2.25 2.2270 0 -3 3 2 40.88 1.56 2.2075 2 1 5 2 41.04 1.74 2.1994 0 3 5 2 41.27 2.49 2.1873 1 -1 5 2 41.78 2.63 2.1623 1 3 5 2 41.88 2.80 2.1572 -1 4 3 2 42.13 1.07 2.1448 2 2 5 2 42.67 9.80 2.1191 0 4 4 2 42.77 1.10 2.1142 1 -4 1 2 43.47 1.96 2.0819 1 4 4 2 43.92 2.12 2.0617 -2 1 5 2 44.04 1.52 2.0561 -2 3 4 2 44.43 1.26 2.0390 3 2 4 2 44.61 5.12 2.0313 2 4 0 2 44.76 4.91 2.0246 -2 0 5 2 44.80 1.83 2.0231 0 -4 2 2 44.97 1.03 2.0158 -1 4 4 2 45.13 1.91 2.0092 -3 3 1 2 45.30 1.46 2.0017 -3 3 0 2 45.50 20.54 1.9934 4 0 0 2 45.58 2.28 1.9900 2 3 5 2 45.61 4.89 1.9891 4 0 1 2 45.86 4.51 1.9787 0 -2 5 2 46.23 1.05 1.9636 1 -4 2 2 46.39 1.58 1.9573 4 1 0 2 46.40 1.05 1.9569 0 -3 4 2 46.78 1.66 1.9419 1 -2 5 2 46.78 2.24 1.9418 -4 1 0 2 46.84 9.08 1.9395 0 4 5 2 47.12 8.76 1.9287 -2 -4 1 2 47.38 16.66 1.9188 2 -4 1 2 47.38 3.68 1.9185 2 1 6 2 48.53 2.80 1.8761 1 5 1 2 48.69 2.81 1.8700 4 2 1 2 48.76 14.74 1.8676 2 0 6 2 49.21 1.72 1.8516 4 1 3 2 49.27 1.31 1.8494 -1 5 2 2 49.34 2.12 1.8468 -1 3 6 2 49.48 5.15 1.8421 0 -4 3 2 49.96 1.96 1.8256 1 5 0 2 50.02 1.43 1.8236 -3 -3 2 2 50.47 2.39 1.8083 2 -4 2 2 50.52 6.47 1.8065 2 -2 5 2 50.60 5.36 1.8038 -2 1 6 2 50.88 5.90 1.7946 2 3 6 2 51.18 1.04 1.7847 0 2 7 2 51.32 1.24 1.7802 3 4 3 2 51.73 1.69 1.7670 -2 0 6 2 51.82 1.85 1.7641 4 -1 3 2 51.83 7.04 1.7639 -3 1 5 2 52.12 2.75 1.7549 2 -1 6 2 52.34 1.79 1.7480 2 5 1 2 52.35 3.68 1.7476 0 0 7 2 52.45 13.21 1.7444 4 1 4 2 52.52 2.36 1.7423 -4 1 3 2 52.54 2.14 1.7419 -3 0 5 2 52.59 7.51 1.7403 -2 -2 5 2 52.75 1.81 1.7353 -2 -3 4 2 52.80 1.20 1.7338 -3 4 2 2 52.81 8.90 1.7336 2 5 3 2 53.02 1.04 1.7271 -1 1 7 2 53.17 6.37 1.7225 4 3 1 2 53.32 1.77 1.7181 4 3 2 2 53.47 2.40 1.7137 -1 2 7 2 53.59 2.56 1.7101 -3 -2 4 2 53.71 2.89 1.7066 -2 5 1 2 53.85 1.95 1.7025 -2 5 2 2 54.10 3.30 1.6953 0 5 5 2 54.12 2.98 1.6945 -4 -2 2 2 54.30 4.26 1.6895 -2 3 6 2 54.33 4.56 1.6887 -4 -1 3 2 54.52 4.85 1.6832 -1 0 7 2 54.56 2.72 1.6821 2 -4 3 2 54.73 2.88 1.6772 2 5 4 2 54.78 1.46 1.6758 0 -5 2 2 55.10 4.72 1.6667 -2 5 3 2 55.17 2.21 1.6649 -4 3 1 2 55.21 8.37 1.6638 -4 3 0 2 55.25 1.71 1.6625 -2 -4 3 2 55.83 2.36 1.6468 -1 3 7 2 55.98 2.28 1.6427 4 -2 3 2 56.23 2.11 1.6359 -4 -3 1 2 56.25 1.70 1.6353 -3 3 5 2 56.55 2.19 1.6275 -4 1 4 2 56.66 2.28 1.6245 4 1 5 2 56.90 2.57 1.6183 2 3 7 2 57.05 1.32 1.6142 3 -4 2 2 57.24 2.52 1.6094 2 -3 5 2 57.34 1.41 1.6069 -3 4 4 2 57.48 4.16 1.6033 0 6 2 2 57.85 1.42 1.5939 -1 -1 7 2 57.91 4.68 1.5923 0 6 1 2 58.02 1.02 1.5896 -4 -2 3 2 58.09 1.45 1.5880 3 5 2 2 58.13 2.72 1.5869 -4 2 4 2 58.76 1.33 1.5714 1 5 6 2 58.82 2.82 1.5700 0 2 8 2 59.10 1.11 1.5632 1 2 8 2 59.22 2.04 1.5604 0 -5 3 2 59.26 1.84 1.5594 5 -1 1 2 59.90 1.47 1.5442 4 4 3 2 59.97 8.23 1.5426 4 -2 4 2 60.40 1.66 1.5325 1 6 0 2 60.55 2.53 1.5291 0 0 8 2 60.67 1.77 1.5265 0 3 8 2 60.84 2.47 1.5224 2 4 7 2 61.10 1.20 1.5168 -3 4 5 2 61.73 1.32 1.5028 -1 -3 6 2 62.38 1.32 1.4886 -5 -1 2 2 63.26 1.13 1.4699 1 -6 1 2 63.80 1.13 1.4589 2 6 0 2 64.49 2.21 1.4449 -2 4 7 2 64.65 5.57 1.4416 4 4 5 2 65.76 1.13 1.4200 -5 -1 3 2 65.87 1.29 1.4179 -1 -5 4 2 66.07 3.37 1.4142 -5 2 3 2 66.44 3.96 1.4071 -4 4 4 2 66.58 1.00 1.4045 1 -6 2 2 67.03 1.25 1.3963 1 2 9 2 67.34 1.37 1.3905 1 1 9 2 67.54 4.07 1.3870 0 -3 7 2 68.29 1.34 1.3736 0 3 9 2 68.54 1.10 1.3692 0 7 3 2 68.70 1.67 1.3663 2 -5 4 2 68.73 1.08 1.3657 -2 6 5 2 69.01 1.14 1.3609 4 0 7 2 69.37 2.20 1.3547 0 5 8 2 69.57 2.15 1.3514 -2 -5 4 2 70.09 1.63 1.3426 -4 -4 3 2 71.97 1.06 1.3120 0 7 5 2 72.41 1.72 1.3052 -2 6 6 2 72.95 1.67 1.2968 1 -1 9 2 73.25 1.16 1.2923 6 2 2 2 73.28 3.40 1.2918 6 -1 2 2 73.30 1.67 1.2915 2 6 7 2 73.93 2.09 1.2820 4 2 8 2 73.97 1.11 1.2815 -4 2 7 2 74.34 1.23 1.2759 2 -5 5 2 74.42 2.27 1.2748 6 2 3 2 74.53 1.88 1.2732 4 6 2 2 74.61 1.33 1.2721 2 7 0 2 74.62 1.23 1.2718 -4 0 7 2 75.09 1.19 1.2651 0 7 6 2 75.44 2.04 1.2601 2 -1 9 2 75.64 1.70 1.2572 -2 7 0 2 76.02 1.17 1.2519 -4 5 5 2 76.50 1.44 1.2452 -6 2 2 2 76.75 1.12 1.2417 0 -7 2 2 77.28 2.02 1.2346 4 -5 3 2 77.71 1.16 1.2289 2 2 10 2 77.85 1.56 1.2270 -4 6 1 2 78.81 1.31 1.2145 -2 -1 9 2 79.09 1.57 1.2108 4 -1 8 2 79.49 1.16 1.2057 -6 -3 1 2 79.87 1.16 1.2010 -3 2 9 2 80.02 2.09 1.1991 -3 1 9 2 81.22 1.30 1.1843 2 4 10 2 82.08 1.18 1.1741 0 6 9 2 82.99 1.75 1.1635 4 -3 7 2 83.71 2.24 1.1554 2 8 4 2 84.21 2.83 1.1498 6 0 6 2 84.54 1.59 1.1461 -5 2 7 2 85.63 1.13 1.1343 -2 4 10 2 87.50 1.10 1.1149 -1 3 11 2 87.62 1.39 1.1136 6 -4 2 2 87.63 1.20 1.1135 0 -6 6 2 88.31 1.02 1.1067 -4 7 3 2 88.95 1.09 1.1003 6 5 4 2 89.11 1.74 1.0988 4 7 6 2 89.89 1.00 1.0913 -1 0 11 2 89.89 1.58 1.0913 6 3 7 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.