#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/63/2016394.hkl $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2016394_Fobs loop_ _publ_author_name 'van der Lee, A.' 'Beaurain, M.' 'Armand, P.' _publ_section_title ; LiFe(MoO~4~)~2~, LiGa(MoO~4~)~2~ and Li~3~Ga(MoO~4~)~3~ ; _journal_coeditor_code IZ3035 _journal_issue 1 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first i1 _journal_page_last i4 _journal_volume 64 _journal_year 2008 _space_group_IT_number 62 _symmetry_space_group_name_Hall '-P 2ac 2n' _symmetry_space_group_name_H-M 'P n m a' _audit_creation_date 07-09-21 _audit_creation_method CRYSTALS _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 5.04022(13) _cell_length_b 10.4054(3) _cell_length_c 17.4541(5) _[local]_cod_data_source_file iz3035IIIsup4.hkl _[local]_cod_data_source_block III loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_meas _refln_F_squared_calc _refln_F_squared_sigma _refln_observed_status 2 0 0 390851.62 506540.72 1108.40 o 4 0 0 151274.00 143597.41 1038.51 o 6 0 0 120753.75 122444.77 1227.88 o 2 1 0 9040.05 8350.38 190.32 o 4 1 0 16787.31 15568.66 415.54 o 6 1 0 5733.75 6405.26 408.83 o 0 2 0 92545.54 109060.97 369.45 o 2 2 0 85501.61 83656.24 533.53 o 4 2 0 54757.66 52274.70 657.69 o 6 2 0 11180.71 11083.28 482.35 o 2 3 0 645.54 855.51 120.88 o 4 3 0 103062.67 104977.50 876.00 o 6 3 0 63160.02 63851.91 913.43 o 0 4 0 259893.02 415886.19 1526.03 o 2 4 0 341103.62 389577.12 1134.14 o 4 4 0 104366.28 102646.57 882.11 o 6 4 0 17655.08 17345.87 556.58 o 2 5 0 38699.26 38998.64 413.19 o 4 5 0 86.55 48.64 741.15 o 6 5 0 2017.12 2262.57 424.90 o 0 6 0 75737.85 71866.99 515.85 o 2 6 0 2532.17 1971.76 179.99 o 4 6 0 386.97 52.08 274.19 o 6 6 0 2956.31 3202.53 425.07 o 2 7 0 50745.69 51547.58 549.31 o 4 7 0 90812.12 91263.51 924.69 o 6 7 0 87514.55 89126.59 1123.37 o 0 8 0 294823.47 338030.31 1357.66 o 2 8 0 10968.06 10898.75 326.91 o 4 8 0 335.72 275.02 277.83 o 6 8 0 10473.10 9547.26 478.45 o 2 9 0 9547.41 9079.86 329.72 o 4 9 0 968.17 1140.82 307.82 o 0 10 0 38236.60 38086.66 592.04 o 2 10 0 31545.58 31994.32 566.62 o 4 10 0 6400.04 6688.38 393.51 o 2 11 0 6658.82 6645.46 343.27 o 4 11 0 60947.60 63889.11 884.01 o 0 12 0 13836.40 13981.67 445.65 o 2 12 0 11733.37 11049.43 428.09 o 4 12 0 3376.51 4020.60 422.38 o 2 13 0 8811.32 8631.32 423.27 o 4 13 0 309.21 346.30 473.18 o 0 14 0 85903.11 87257.75 1087.66 o 2 14 0 20897.85 20291.73 591.52 o 1 0 1 189.71 53.89 87.30 o 2 0 1 2747.48 3475.98 163.86 o 3 0 1 55.00 3.87 175.86 o 4 0 1 166730.39 171546.03 1086.11 o 5 0 1 7.59 1.97 1166.23 o 6 0 1 51930.10 53206.06 828.16 o 7 0 1 -15.94 28.99 397.55 o 1 1 1 79545.05 83608.02 349.22 o 2 1 1 4316.55 3381.30 153.10 o 3 1 1 28238.49 26889.30 405.15 o 4 1 1 9442.32 8185.66 344.96 o 5 1 1 2713.32 2223.99 309.69 o 6 1 1 437.88 438.17 333.41 o 7 1 1 509.25 434.92 476.31 o 1 2 1 15287.04 15237.72 180.34 o 2 2 1 19072.34 18812.49 266.93 o 3 2 1 54734.81 54949.70 526.73 o 4 2 1 26475.39 26278.25 486.51 o 5 2 1 67187.52 65630.73 823.59 o 6 2 1 16230.65 16712.33 537.58 o 7 2 1 38739.09 39803.53 772.43 o 0 3 1 231674.70 305307.31 832.71 o 1 3 1 84781.45 81822.55 428.33 o 2 3 1 40572.66 38885.26 375.74 o 3 3 1 54663.71 50172.16 548.27 o 4 3 1 13650.59 12252.96 377.77 o 5 3 1 9303.75 8800.44 400.87 o 6 3 1 11199.75 11094.04 485.20 o 7 3 1 3269.17 3896.67 449.81 o 1 4 1 73312.65 68746.37 459.58 o 2 4 1 11498.14 11663.95 234.69 o 3 4 1 153.78 38.60 173.74 o 4 4 1 27652.58 25816.08 488.34 o 5 4 1 2286.48 2432.28 308.40 o 6 4 1 53522.01 56271.91 863.93 o 7 4 1 1769.87 1493.48 542.93 o 0 5 1 6716.52 6839.46 163.92 o 1 5 1 85496.09 89572.61 565.26 o 2 5 1 66080.20 63896.72 538.37 o 3 5 1 63168.78 61709.30 623.30 o 4 5 1 33023.04 30533.22 534.33 o 5 5 1 3221.83 2873.25 311.40 o 6 5 1 459.89 545.70 415.13 o 7 5 1 250.41 18.04 3082.71 o 1 6 1 1169.28 886.35 160.83 o 2 6 1 8683.07 8417.34 248.35 o 3 6 1 32554.18 31514.78 488.73 o 4 6 1 1403.58 1256.99 280.19 o 5 6 1 50220.63 49137.80 767.36 o 6 6 1 3512.38 3557.30 436.11 o 0 7 1 190161.78 209369.58 877.99 o 1 7 1 201.08 8.63 172.23 o 2 7 1 131584.50 134186.50 883.19 o 3 7 1 1103.96 964.23 223.10 o 4 7 1 18659.77 17763.85 475.17 o 5 7 1 81.06 126.77 454.18 o 6 7 1 4144.69 4132.39 424.63 o 1 8 1 292.39 219.05 194.77 o 2 8 1 479.83 413.19 215.28 o 3 8 1 1915.84 1824.64 256.33 o 4 8 1 26558.33 26492.61 558.91 o 5 8 1 2226.49 2176.48 386.68 o 6 8 1 4990.54 5387.13 383.52 o 0 9 1 15690.25 17139.39 397.58 o 1 9 1 171021.00 177073.02 1130.61 o 2 9 1 39808.68 39559.15 569.59 o 3 9 1 112886.09 116479.24 1005.30 o 4 9 1 29795.94 32012.87 604.42 o 5 9 1 31004.31 31037.48 702.08 o 6 9 1 2818.42 2856.55 552.45 o 1 10 1 4377.44 4168.60 287.71 o 2 10 1 50.42 39.31 234.50 o 3 10 1 5224.79 5388.18 327.09 o 4 10 1 338.35 367.66 341.86 o 5 10 1 5879.86 6884.32 482.02 o 0 11 1 120133.51 123881.42 1067.22 o 1 11 1 8615.19 8541.76 363.07 o 2 11 1 48298.22 47691.41 719.63 o 3 11 1 7281.26 7319.15 377.71 o 4 11 1 19990.58 20170.64 570.14 o 5 11 1 4610.60 5046.21 463.06 o 1 12 1 7370.06 7018.91 376.28 o 2 12 1 2203.60 2048.11 333.38 o 3 12 1 7694.33 7750.13 409.15 o 4 12 1 591.28 567.61 423.02 o 0 13 1 7740.03 7725.77 408.69 o 1 13 1 65450.93 65436.18 916.95 o 2 13 1 20021.94 20223.80 567.47 o 3 13 1 53594.46 52343.81 864.65 o 4 13 1 9848.04 14626.91 451.98 o 1 14 1 257.32 248.05 362.10 o 2 14 1 409.70 416.37 415.43 o 3 14 1 99.09 141.71 374.39 o 1 15 1 1328.67 1653.09 636.92 o 1 0 2 99536.98 106611.80 398.57 o 2 0 2 4742.92 4071.59 167.30 o 3 0 2 38934.49 37685.05 469.67 o 4 0 2 35643.48 32136.64 528.95 o 5 0 2 4541.27 4185.04 338.37 o 6 0 2 7273.93 6559.32 436.05 o 7 0 2 1598.44 852.52 472.08 o 1 1 2 6255.47 5804.56 137.31 o 2 1 2 1341.18 812.19 126.81 o 3 1 2 11405.34 11518.15 283.51 o 4 1 2 22438.35 22075.04 461.72 o 5 1 2 16451.33 16409.36 464.73 o 6 1 2 6340.33 5891.85 433.08 o 7 1 2 10794.87 10313.72 480.98 o 0 2 2 37618.15 45666.71 246.54 o 1 2 2 445036.88 647321.88 2705.51 o 2 2 2 80247.44 82504.29 493.77 o 3 2 2 155854.41 154945.64 878.33 o 4 2 2 47154.64 44365.85 615.70 o 5 2 2 49309.34 46260.84 719.65 o 6 2 2 398.70 431.88 678.81 o 7 2 2 4551.15 4816.09 417.26 o 1 3 2 362.18 122.45 112.05 o 2 3 2 71791.95 66806.63 493.76 o 3 3 2 2814.73 2377.70 203.75 o 4 3 2 532.45 394.59 229.85 o 5 3 2 500.09 523.80 436.33 o 6 3 2 1434.64 1217.11 386.03 o 7 3 2 531.66 664.06 456.84 o 0 4 2 3900.14 3677.38 139.32 o 1 4 2 48596.23 49569.25 379.11 o 2 4 2 2144.10 978.38 148.92 o 3 4 2 9611.67 8717.19 283.18 o 4 4 2 282.89 39.71 225.59 o 5 4 2 21188.72 20485.75 516.29 o 6 4 2 248.69 208.43 386.61 o 7 4 2 608.64 589.31 551.83 o 1 5 2 24746.74 23918.70 315.93 o 2 5 2 49446.05 47737.71 464.79 o 3 5 2 58331.47 59568.71 605.66 o 4 5 2 14674.01 13766.52 388.76 o 5 5 2 42156.62 41863.29 683.41 o 6 5 2 10414.80 9820.48 526.10 o 7 5 2 35324.90 36981.21 854.79 o 0 6 2 76061.27 80602.69 514.23 o 1 6 2 226508.05 254867.30 986.21 o 2 6 2 109656.22 109870.52 734.11 o 3 6 2 66305.04 64035.82 671.73 o 4 6 2 76250.39 73798.56 832.28 o 5 6 2 36392.75 36076.94 677.45 o 6 6 2 10580.75 10713.64 487.55 o 1 7 2 2124.65 2120.41 199.80 o 2 7 2 946.04 953.05 199.76 o 3 7 2 10471.08 10182.43 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