K(VO2)(HPO4) Amoros P, Beltran-Porter D, Le Bail A, Ferey G, Villeneuve G European Journal of Solid State and Inorganic Chemistry 25 (1988) 599-607 Crystal structure of A(VO2)(HPO4)(A=NH4,K,Rb) solved from X-ray powder diffraction _cod_database_code 1000079 _database_code_amcsd 0012523 CELL PARAMETERS: 6.7550 9.1026 17.0808 90.000 90.000 90.000 SPACE GROUP: Pbca X-RAY WAVELENGTH: 1.541838 Cell Volume: 1050.265 Density (g/cm3): 2.744 MAX. ABS. INTENSITY / VOLUME**2: 8.030826793 RIR: 0.953 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 10.36 100.00 8.5404 0 0 2 2 16.73 6.92 5.2981 1 0 2 4 17.15 5.87 5.1701 1 1 1 8 19.39 1.41 4.5789 1 1 2 8 19.50 18.34 4.5513 0 2 0 2 20.19 74.83 4.3979 0 2 1 4 22.13 62.14 4.0166 0 2 2 4 22.64 2.00 3.9274 1 1 3 8 24.15 86.75 3.6856 1 2 1 8 24.66 7.72 3.6095 1 0 4 4 25.05 4.87 3.5551 0 2 3 4 25.81 25.40 3.4524 1 2 2 8 26.57 5.31 3.3553 1 1 4 8 28.18 14.24 3.1665 2 1 0 4 28.37 8.61 3.1460 1 2 3 8 28.42 92.71 3.1408 2 0 2 4 28.67 42.94 3.1141 0 2 4 4 28.67 1.24 3.1135 2 1 1 8 30.10 8.14 2.9690 2 1 2 8 30.93 21.23 2.8907 1 1 5 8 31.42 42.62 2.8468 0 0 6 2 31.64 6.56 2.8281 1 2 4 8 32.35 3.70 2.7674 2 1 3 8 33.03 22.21 2.7123 2 2 0 4 33.45 2.01 2.6787 2 2 1 8 33.84 31.25 2.6490 2 0 4 4 34.18 1.76 2.6234 1 0 6 4 34.70 31.72 2.5850 2 2 2 8 35.44 57.85 2.5328 1 2 5 8 35.62 3.19 2.5208 1 1 6 8 36.08 2.32 2.4893 1 3 3 8 39.60 1.12 2.2757 0 4 0 2 39.65 1.91 2.2728 1 2 6 8 39.97 34.00 2.2557 0 4 1 4 40.54 10.34 2.2253 1 1 7 8 41.05 4.06 2.1989 0 4 2 4 41.47 8.32 2.1773 3 0 2 4 41.66 2.23 2.1681 3 1 1 8 42.01 2.19 2.1505 0 2 7 4 42.24 4.02 2.1396 1 4 1 8 42.33 8.04 2.1351 0 0 8 2 42.71 8.53 2.1170 2 1 6 8 43.11 1.57 2.0983 2 3 3 8 43.27 2.07 2.0909 1 4 2 8 44.50 5.98 2.0358 1 0 8 4 45.15 3.26 2.0083 0 4 4 4 45.24 2.04 2.0042 3 2 1 8 45.72 3.50 1.9845 1 3 6 8 46.22 5.28 1.9641 3 2 2 8 46.23 11.85 1.9637 2 2 6 8 46.68 2.28 1.9457 3 1 4 8 47.01 5.05 1.9330 0 2 8 4 48.04 3.66 1.8939 0 4 5 4 48.22 1.02 1.8872 2 4 0 4 48.33 1.41 1.8832 2 3 5 8 48.53 2.44 1.8758 2 4 1 8 49.02 1.15 1.8584 1 2 8 8 49.46 1.15 1.8428 2 4 2 8 49.82 2.52 1.8304 1 3 7 8 49.98 7.20 1.8247 3 2 4 8 50.02 2.19 1.8236 1 4 5 8 50.58 1.91 1.8047 2 0 8 4 50.77 1.80 1.7981 3 3 1 8 50.98 20.15 1.7914 2 4 3 8 50.98 5.34 1.7914 1 1 9 8 51.41 1.06 1.7775 0 4 6 4 52.22 2.09 1.7517 0 2 9 4 52.68 5.99 1.7376 3 2 5 8 53.05 1.05 1.7262 2 4 4 8 53.20 1.16 1.7217 1 5 2 8 53.29 7.74 1.7190 1 4 6 8 54.09 1.76 1.6956 1 2 9 8 54.32 7.20 1.6888 4 0 0 2 54.71 5.27 1.6777 2 2 8 8 55.16 1.04 1.6650 3 3 4 8 55.19 9.67 1.6642 0 4 7 4 55.33 3.53 1.6604 4 1 0 4 55.46 3.96 1.6567 4 0 2 4 55.61 4.50 1.6526 4 1 1 8 55.64 1.99 1.6519 2 4 5 8 56.52 6.24 1.6281 3 1 7 8 56.53 1.27 1.6279 2 1 9 8 57.64 3.20 1.5992 0 2 10 4 57.68 3.12 1.5981 3 3 5 8 57.86 1.72 1.5936 3 4 1 8 58.28 3.91 1.5833 4 2 0 4 58.69 2.68 1.5730 2 4 6 8 58.80 2.00 1.5704 4 0 4 4 59.01 1.21 1.5652 1 3 9 8 59.37 1.32 1.5567 4 2 2 8 59.44 2.58 1.5550 2 2 9 8 59.68 1.19 1.5493 3 0 8 4 59.76 1.51 1.5475 4 1 4 8 59.97 1.40 1.5426 2 5 3 8 60.71 3.26 1.5254 4 2 3 8 60.76 11.69 1.5242 2 0 10 4 61.07 1.55 1.5173 1 4 8 8 62.05 1.69 1.4957 1 5 6 8 62.14 1.07 1.4937 0 6 2 4 62.16 2.30 1.4934 4 1 5 8 62.18 4.83 1.4928 1 1 11 8 62.57 5.37 1.4845 4 2 4 8 62.99 1.44 1.4756 4 3 0 4 63.28 1.28 1.4696 0 2 11 4 63.46 9.16 1.4660 0 6 3 4 63.82 1.71 1.4585 1 6 2 8 64.12 3.31 1.4524 4 0 6 4 64.91 1.36 1.4365 4 2 5 8 64.94 4.22 1.4360 1 2 11 8 65.03 2.40 1.4343 4 1 6 8 65.09 4.73 1.4331 3 1 9 8 65.52 1.15 1.4247 1 4 9 8 66.90 1.16 1.3986 1 6 4 8 67.71 1.05 1.3839 2 6 0 4 67.93 3.12 1.3798 3 3 8 8 67.96 13.00 1.3794 2 6 1 8 68.33 1.57 1.3727 4 1 7 8 68.71 1.58 1.3661 0 4 10 4 68.94 1.75 1.3620 2 3 10 8 69.23 3.83 1.3571 1 5 8 8 69.54 6.17 1.3519 4 4 1 8 70.35 5.89 1.3382 2 4 9 8 70.71 1.68 1.3323 5 1 1 8 70.74 2.25 1.3318 1 2 12 8 71.19 2.20 1.3245 4 0 8 4 72.10 1.59 1.3101 4 3 6 8 73.89 2.43 1.2827 2 6 5 8 74.27 1.46 1.2770 1 1 13 8 74.92 1.15 1.2676 3 5 6 8 75.04 1.23 1.2658 1 3 12 8 75.42 1.61 1.2604 2 2 12 8 76.55 2.89 1.2445 5 1 5 8 77.26 1.77 1.2349 4 5 1 8 77.57 2.31 1.2307 3 2 11 8 78.27 2.05 1.2215 5 3 2 8 78.65 1.35 1.2165 1 6 8 8 79.65 5.43 1.2038 2 6 7 8 80.02 3.25 1.1991 2 4 11 8 80.83 1.46 1.1891 4 5 4 8 81.14 2.96 1.1854 4 4 7 8 81.17 1.84 1.1850 0 6 9 4 81.75 1.20 1.1780 3 3 11 8 83.20 3.21 1.1612 4 2 10 8 83.23 1.32 1.1608 5 3 5 8 84.12 1.28 1.1508 3 6 6 8 85.30 1.38 1.1379 0 4 13 4 86.41 1.42 1.1261 4 6 1 8 87.11 1.37 1.1188 4 6 2 8 87.34 1.13 1.1164 3 7 2 8 87.73 2.66 1.1125 1 8 2 8 88.27 1.79 1.1070 4 6 3 8 88.57 1.75 1.1041 4 5 7 8 89.36 1.03 1.0964 6 1 3 8 89.41 1.48 1.0959 1 7 8 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.