#------------------------------------------------------------------------------ #$Date: 2009-05-05 17:46:52 +0300 (Tue, 05 May 2009) $ #$Revision: 697 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2103590.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_2103590_Fobs loop_ _publ_author_name 'Krogh Andersen, Anne Marie' 'Carlson, Stefan' _publ_section_title ; High-pressure structures of \a- and \d-ZrMo~2~O~8~ ; _journal_issue 1 _journal_name_full 'Acta Crystallographica Section B' _journal_page_first 20 _journal_page_last 26 _journal_volume 57 _journal_year 2001 _space_group_IT_number 12 _symmetry_space_group_name_Hall '-C 2y' _symmetry_space_group_name_H-M 'C 1 2/m 1' _[local]_cod_data_source_file sn00041.87GPasup29.hkl _[local]_cod_data_source_block 1.87GPa loop_ _refln_index_h _refln_index_k _refln_index_l _pd_refln_phase_id _refln_observed_status _refln_F_squared_calc _refln_F_squared_meas _refln_phase_calc _refln_intensity_meas 2 0 0 1 o 32.883 16.364 180.00 .06 0 0 1 1 o 448.421 580.294 .00 .82 1 1 0 1 o 35.310 4.923 180.00 .13 1 1 -1 1 o 53498.32 53460.21 .00 100.00 2 0 -1 1 o 38.550 39.072 180.00 .04 1 1 1 1 o 163.315 161.875 180.00 .30 2 0 1 1 o 43496.10 44144.99 .00 35.64 0 2 0 1 o 41718.66 39914.47 .00 25.40 3 1 0 1 o 37531.85 37895.53 .00 41.56 0 0 2 1 o 3935.515 3218.726 180.00 1.87 0 2 1 1 o 1260.142 1270.884 180.00 1.21 3 1 -1 1 o 5.970 13.937 180.00 .01 2 2 0 1 o 91.596 245.170 180.00 .09 3 1 1 1 o .938 1.376 .00 .00 4 0 0 1 o 6985.903 6425.584 180.00 2.91 2 0 -2 1 o 12633.000 13815.520 .00 4.74 1 1 -2 1 o 333.001 348.936 .00 .24 2 2 -1 1 o 3296.781 2734.602 .00 2.46 1 1 2 1 o 23287.060 22270.530 .00 16.75 2 2 1 1 o 12013.130 12188.650 .00 8.32 4 0 -1 1 o 22865.510 24765.220 .00 7.89 2 0 2 1 o 7338.154 7977.758 .00 2.57 4 0 1 1 o 295.384 161.588 180.00 .10 3 1 -2 1 o 28.740 58.998 .00 .02 0 2 2 1 o 449.195 905.119 180.00 .25 1 3 0 1 o 5.767 5.654 180.00 .00 4 2 0 1 o 7.335 9.354 .00 .00 3 1 2 1 o 258.412 376.995 180.00 .13 2 2 -2 1 o 30900.310 31673.910 .00 14.51 5 1 0 1 o 43.740 44.757 180.00 .02 1 3 -1 1 o 33660.190 30565.580 .00 15.54 4 0 -2 1 o 964.206 888.985 .00 .22 1 3 1 1 o 120.174 134.353 180.00 .06 4 2 -1 1 o 38436.76 38826.38 .00 17.10 2 2 2 1 o 181.797 183.332 .00 .08 5 1 -1 1 o 388.686 349.737 180.00 .18 4 2 1 1 o 184.298 170.486 .00 .08 0 0 3 1 o 16737.130 17801.760 .00 3.47 4 0 2 1 o 31954.940 32653.790 .00 6.60 5 1 1 1 o 22961.040 23172.760 .00 9.26 3 3 0 1 o 25512.860 24066.270 .00 10.07 2 0 -3 1 o 104.683 92.518 .00 .02 1 1 -3 1 o 2574.901 2787.094 180.00 1.00 1 1 3 1 o 2063.470 2455.055 .00 .75 3 3 -1 1 o 3.226 3.270 .00 .00 6 0 0 1 o 20716.590 20754.000 .00 3.73 2 0 3 1 o 371.949 374.938 180.00 .07 3 3 1 1 o 6.140 8.924 .00 .00 6 0 -1 1 o 86.146 102.781 180.00 .02 1 3 -2 1 o 301.129 339.285 .00 .10 4 2 -2 1 o 996.657 893.955 .00 .33 1 3 2 1 o 16464.100 15085.510 .00 5.45 5 1 -2 1 o 20260.750 20743.200 .00 6.66 6 0 1 1 o 128.254 119.384 .00 .02 3 1 -3 1 o 16055.600 16345.940 .00 5.07 0 2 3 1 o 28709.450 29735.120 .00 8.98 4 2 2 1 o 17966.650 18288.200 .00 5.54 0 4 0 1 o 41826.90 38894.80 .00 6.46 2 2 -3 1 o 1437.066 1556.640 .00 .42 3 1 3 1 o 20470.060 23092.910 .00 5.98 4 0 -3 1 o 79.396 89.302 180.00 .01 3 3 -2 1 o 59.537 36.827 .00 .02 5 1 2 1 o 2068.235 1854.073 .00 .62 0 4 1 1 o 312.979 217.356 .00 .09 2 4 0 1 o 1.088 .715 180.00 .00 6 2 0 1 o 25453.190 23633.940 .00 7.12 2 2 3 1 o 907.235 1053.303 180.00 .26 6 0 -2 1 o 404.610 578.393 .00 .06 3 3 2 1 o 162.381 307.488 180.00 .05 6 2 -1 1 o 680.009 950.694 180.00 .19 5 3 0 1 o 5.281 8.125 180.00 .00 2 4 -1 1 o 6.509 8.398 180.00 .00 4 0 3 1 o 1983.569 2329.933 .00 .26 2 4 1 1 o 19314.070 18008.730 .00 5.00 6 2 1 1 o 2862.977 3373.986 .00 .74 5 3 -1 1 o 138.760 165.218 180.00 .04 7 1 0 1 o 80.139 87.223 .00 .02 6 0 2 1 o 2624.306 3279.325 180.00 .34 5 3 1 1 o 17443.820 16706.840 .00 4.26 7 1 -1 1 o 18445.990 18786.290 .00 4.48 4 2 -3 1 o 1810.785 1889.407 180.00 .44 0 0 4 1 o 290.626 296.694 .00 .03 1 3 -3 1 o 1502.740 1536.097 180.00 .36 5 1 -3 1 o 1945.589 1810.669 .00 .46 0 4 2 1 o 1087.929 956.183 180.00 .26 7 1 1 1 o 78.165 75.125 180.00 .02 1 3 3 1 o 1811.517 1738.100 .00 .42 2 0 -4 1 o 592.250 437.211 180.00 .07 6 2 -2 1 o 567.871 527.390 180.00 .13 1 1 -4 1 o 17220.500 18586.410 .00 3.87 4 4 0 1 o 1412.349 1527.474 180.00 .33 2 4 -2 1 o 9393.155 8127.865 .00 2.05 1 1 4 1 o 318.919 329.972 180.00 .07 4 2 3 1 o .666 .858 .00 .00 5 3 -2 1 o 14701.150 14652.780 .00 3.16 2 0 4 1 o 10073.930 10228.700 .00 1.07 4 4 -1 1 o 12252.020 12451.500 .00 2.61 2 4 2 1 o 2774.032 2821.320 .00 .60 5 1 3 1 o 1523.774 1459.910 180.00 .33 3 3 -3 1 o 12051.490 11962.980 .00 2.52 7 1 -2 1 o 45.193 43.624 180.00 .01 4 4 1 1 o 63.683 61.607 180.00 .01 6 2 2 1 o 321.210 313.700 180.00 .07 6 0 -3 1 o 18797.760 18840.190 .00 1.94