data_4105339 loop_ _publ_author_name 'Masaki Mito' 'Yuki Komorida' 'Hideki Tsuruda' 'John S. Tse' 'Serge Desgreniers' 'Yauso Ohishi' 'Alicea A. Leitch' 'Kristina Cvrkalj' 'Craig M. Robertson' 'Richard T. Oakley' _publ_section_title ; Heavy Atom Ferromagnets under Pressure: Structural Changes and the Magnetic Response ; _journal_name_full 'Journal of the American Chemical Society' _journal_volume 131 _journal_page_first 16012 _journal_page_last 16013 _journal_year 2009 _publ_contact_author_name 'Richard Oakley' _publ_contact_author_address # Address of author for correspondence ; Department of Chemistry University of Waterloo Waterloo, ON N2L 3G1 Canada ; _publ_contact_author_email oakley@uwaterloo.ca _publ_contact_author_fax 519-746-0435 _publ_contact_author_phone 519-888-4582 #---- raw/calc data loop ----- _pd_meas_2theta_range_min 1.0 _pd_meas_2theta_range_max 32.86 _pd_meas_2theta_range_inc 0.01 _pd_proc_2theta_range_min 0.99999 _pd_proc_2theta_range_max 32.85999 _pd_proc_2theta_range_inc 0.01 loop_ _pd_meas_counts_total _pd_proc_ls_weight _pd_proc_intensity_bkg_calc _pd_calc_intensity_total 2767.0 0.0 -13917.63477 . 2783.0 0.0 -13687.97559 . 2794.0 0.0 -13459.73145 . 2787.0 0.0 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70832.0 . . . 70742.0 . . . 70637.0 . . . 70566.0 . . . 70468.0 . . . 70434.0 . . . 70358.0 . . . 70318.0 . . . 70296.0 . . . 70362.0 . . . 70381.0 . . . 70298.0 . . . 70083.0 . . . 70025.0 . . . 70003.0 . . . 70036.0 . . . 70083.0 . . . 70226.0 . . . 70254.0 . . . 70301.0 . . . 70384.0 . . . 70471.0 . . . 70575.0 . . . 70637.0 . . . 70630.0 . . . 70590.0 . . . 70503.0 . . . 70458.0 . . . 70309.0 . . . 70151.0 . . . 70018.0 . . . 69902.0 . . . 69761.0 . . . 69641.0 . . . 69617.0 . . . 69587.0 . . . 69542.0 . . . 69539.0 . . . 69496.0 . . . 69524.0 . . . 69512.0 . . . 69583.0 . . . 69695.0 . . . 69679.0 . . . 69710.0 . . . 69654.0 . . . 69701.0 . . . 69812.0 . . . 69896.0 . . . 69941.0 . . . 69876.0 . . . 69781.0 . . . 69731.0 . . . 69648.0 . . . 69471.0 . . . 69404.0 . . . 69364.0 . . . 69296.0 . . . 69231.0 . . . 69162.0 . . . 69135.0 . . . 69105.0 . . . 69167.0 . . . 69149.0 . . . 69245.0 . . . 69323.0 . . . 69304.0 . . . 69203.0 . . . 69157.0 . . . 69068.0 . . . 69029.0 . . . 68939.0 . . . 68847.0 . . . 68790.0 . . . 68790.0 . . . 68788.0 . . . 68847.0 . . . 68819.0 . . . 68862.0 . . . 68875.0 . . . 68814.0 . . . 68810.0 . . . 68799.0 . . . 68826.0 . . . 68818.0 . . . 68894.0 . . . 68989.0 . . . 69064.0 . . . 69135.0 . . . 69236.0 . . . 69296.0 . . . 69440.0 . . . 69499.0 . . . 69571.0 . . . 69489.0 . . . 69408.0 . . . 69240.0 . . . 69116.0 . . . 68997.0 . . . 68817.0 . . . 68695.0 . . . 68569.0 . . . 68483.0 . . . 68512.0 . . . 68457.0 . . . 68419.0 . . . 68348.0 . . . 68314.0 . . . 68281.0 . . . 68342.0 . . . 68328.0 . . . 68436.0 . . . 68463.0 . . . 68457.0 . . . 68439.0 . . . 68399.0 . . . 68364.0 . . . 68326.0 . . . 68272.0 . . . 68236.0 . . . 68302.0 . . . 68229.0 . . . 68122.0 . . . 68087.0 . . . 68158.0 . . . 68248.0 . . . 68258.0 . . . 68295.0 . . . 68314.0 . . . 68249.0 . . . 68309.0 . . . 68349.0 . . . 68445.0 . . . 68435.0 . . . 68444.0 . . . 68392.0 . . . 68354.0 . . . 68267.0 . . . 68106.0 . . . 67984.0 . . . 67970.0 . . . 68066.0 . . . 68017.0 . . . 67944.0 . . . 67989.0 . . . 67922.0 . . . 67760.0 . . . 67704.0 . . . 67563.0 . . . 67574.0 . . . 67512.0 . . . 67486.0 . . . 67416.0 . . . 67324.0 . . . 67339.0 . . . 67399.0 . . . 67527.0 . . . 67568.0 . . . 67602.0 . . . 67469.0 . . . 67319.0 . . . 67333.0 . . . 67270.0 . . . 67229.0 . . . 67240.0 . . . 67258.0 . . . 67213.0 . . . 67231.0 . . . 67155.0 . . . 67129.0 . . . 67133.0 . . . 67180.0 . . . 67241.0 . . . 67243.0 . . . 67193.0 . . . 67148.0 . . . 67169.0 . . . 67160.0 . . . 67107.0 . . . 66963.0 . . . 66883.0 . . . 66853.0 . . . 66923.0 . . . 66868.0 . . . 66779.0 . . . 66778.0 . . . 66815.0 . . . 66830.0 . . . 66849.0 . . . 66854.0 . . . 66743.0 . . . 66644.0 . . . 66703.0 . . . 66742.0 . . . 66729.0 . . . 66667.0 . . . 66707.0 . . . 66703.0 . . . 66751.0 . . . 66696.0 . . . 66646.0 . . . 66583.0 . . . 66538.0 . . . 66534.0 . . . 66600.0 . . . 66692.0 . . . 66698.0 . . . 66754.0 . . . 66753.0 . . . 66715.0 . . . 66566.0 . . . 66487.0 . . . 66462.0 . . . 66384.0 . . . 66404.0 . . . 66447.0 . . . 66220.0 . . . 66172.0 . . . 66119.0 . . . 66068.0 . . . 65875.0 . . . 65915.0 . . . 65865.0 . . . 65793.0 . . . 65835.0 . . . 65849.0 . . . 65737.0 . . . 65590.0 . . . 65504.0 . . . 65561.0 . . . 65531.0 . . . 65357.0 . . . 65135.0 . . . 65060.0 . . . 64868.0 . . . 64895.0 . . . 64973.0 . . . 64971.0 . . . 64680.0 . . . 64634.0 . . . 64741.0 . . . 64888.0 . . . 64714.0 . . . 64431.0 . . . 64384.0 . . . 64288.0 . . . 64051.0 . . . 64079.0 . . . 64240.0 . . . 64164.0 . . . 63896.0 . . . 63783.0 . . . 63391.0 . . . 63547.0 . . . 63707.0 . . . 65832.0 . . . 68464.0 . . . 69072.0 . . . 69364.0 . . . 69645.0 . . . 69889.0 . . . 70243.0 . . . 71627.0 . . . 71918.0 . . . 72658.0 . . . 73878.0 . . . 77946.0 . . . 85430.0 . . . 99269.0 . . . _pd_meas_number_of_points 3187 _pd_proc_number_of_points 3187 loop_ _refln_index_h _refln_index_k _refln_index_l _refln_observed_status _refln_F_squared_meas _refln_F_squared_calc _refln_phase_calc _refln_d_spacing _gsas_i100_meas 2 0 0 o 2692.894 2725.420 0.00 7.95044 20.41 2 1 0 o 3509.009 3477.759 -180.00 7.11109 19.80 2 2 0 o 7198.427 8042.042 180.00 5.62181 4.63 3 1 0 o 693.124 239.266 180.00 5.02830 1.91 3 2 0 o 1278.000 556.816 180.00 4.41011 2.05 0 0 1 o 37578.91 37412.78 0.00 3.80247 26.67 4 0 0 o 1369.559 2788.463 0.00 3.97522 1.94 3 3 0 o 12396.407 11220.164 -180.00 3.74787 4.64 4 1 0 o 13136.146 13125.854 -180.00 3.85653 21.65 1 0 1 o 16.211 12.424 -90.00 3.69819 0.02 1 1 1 o 9594.684 9632.313 94.58 3.60205 17.05 4 2 0 o 3470.997 4432.987 -180.00 3.55555 4.86 2 0 1 o 3013.678 2780.484 0.00 3.43032 7.78 2 1 1 o 10848.089 10762.476 -135.59 3.35318 58.87 4 3 0 o 2744.696 2138.645 -180.00 3.18018 2.05 2 2 1 o 77783.08 77600.68 140.36 3.14966 99.59 3 0 1 o 0.000 2543.663 -90.00 3.08963 0.00 5 1 0 o 37.514 43.713 -180.00 3.11842 0.04 3 1 1 o 5553.920 5610.434 95.64 3.03290 6.76 5 2 0 o 779.838 1691.014 180.00 2.95272 0.77 3 2 1 o 4077.275 2897.375 -88.21 2.87982 5.30 4 4 0 o 32585.805 31362.412 0.00 2.81091 8.85 4 0 1 o 26596.107 26465.320 0.00 2.74779 23.22 5 3 0 o 448.336 453.312 -180.00 2.72698 0.32 3 3 1 o 25609.156 26246.469 128.66 2.66924 11.03 4 1 1 o 4735.744 5074.410 -131.91 2.70766 8.80 6 0 0 o 26892.283 22274.260 180.00 2.65015 9.09 4 2 1 o 18703.627 18595.938 85.73 2.59706 40.28 6 1 0 o 10736.242 10339.463 180.00 2.61409 6.71 5 4 0 o 1599.110 861.342 0.00 2.48330 0.79 4 3 1 o 931.409 905.004 -99.78 2.43946 1.45 5 0 1 o 12960.104 12607.992 -90.00 2.43946 13.31 6 2 0 o 58296.37 56507.70 180.00 2.51415 40.41 5 1 1 o 6749.932 6579.200 24.37 2.41125 11.26 6 3 0 o 8265.757 6132.599 180.00 2.37036 5.10 5 2 1 o 4298.812 3592.369 -95.38 2.33215 5.76 4 4 1 o 33731.273 35002.223 60.73 2.26035 20.99 5 5 0 o 8484.919 13007.341 0.00 2.24872 1.86 5 3 1 o 2970.919 5179.486 67.23 2.21602 2.89 7 1 0 o 8454.355 13479.824 -180.00 2.24872 2.69 6 0 1 o 702.515 676.882 180.00 2.17419 0.73 6 4 0 o 577.776 827.844 0.00 2.20506 0.26 6 1 1 o 872.728 1164.013 -151.03 2.15415 1.59 7 2 0 o 23135.861 25265.092 180.00 2.18415 11.04 6 2 1 o 19680.258 19547.328 160.00 2.09719 24.78 5 4 1 o 6758.133 4409.957 -5.80 2.07918 5.39 7 3 0 o 6123.862 6278.572 -180.00 2.08789 3.08 6 5 0 o 2694.284 1778.521 -180.00 2.03590 1.05 6 3 1 o 4818.455 5055.435 -33.56 2.01153 2.93 8 0 0 o 0.000 738.140 0.00 1.98761 0.00 7 0 1 o 0.027 0.020 -90.00 1.95008 0.00 7 4 0 o 10700.897 7616.070 -180.00 1.97226 4.21 8 1 0 o 16715.287 11834.828 -180.00 1.97226 1.61 7 1 1 o 660.961 1503.431 -175.70 1.93558 1.18 5 5 1 o 2500.643 5389.898 13.35 1.93558 0.91 0 0 2 o 122.127 147.554 180.00 1.90123 0.01 1 0 2 o 82.041 51.451 90.00 1.88779 0.02 6 4 1 o 1129.269 1300.811 -24.90 1.90752 0.42 8 2 0 o 1533.326 2242.791 -180.00 1.92827 0.47 1 1 2 o 16760.545 10091.059 -167.74 1.87462 4.41 7 2 1 o 563.546 557.947 -164.07 1.89394 0.85 2 0 2 o 10311.641 7046.330 -180.00 1.84910 4.07 6 6 0 o 5037.362 3009.303 0.00 1.87394 0.94 2 1 2 o 1722.303 1059.295 -98.91 1.83672 1.52 7 5 0 o 918.099 628.415 0.00 1.84844 0.30 8 3 0 o 751.975 542.604 -180.00 1.86106 0.30 7 3 1 o 3682.998 3531.439 -170.45 1.83015 3.14 2 2 2 o 24072.602 26329.648 -177.39 1.80103 14.38 3 0 2 o 1.257 1.162 -90.00 1.78958 0.00 3 1 2 o 640.971 657.557 -163.74 1.77836 0.79 6 5 1 o 2479.284 2238.440 -112.34 1.79483 1.24 3 2 2 o 31.747 34.360 150.72 1.74590 0.04 8 0 1 o 2515.575 3350.892 0.00 1.76148 1.38 8 4 0 o 15880.600 16078.979 0.00 1.77777 5.49 7 4 1 o 3209.817 3136.176 -98.87 1.75077 1.28 8 1 1 o 10090.092 9847.567 113.45 1.75077 12.55 4 0 2 o 20770.855 23310.564 0.00 1.71516 10.10 9 1 0 o 0.000 2667.571 0.00 1.75596 0.00 4 1 2 o 242.885 194.921 85.06 1.70527 0.25 7 6 0 o 9109.412 9472.213 -180.00 1.72469 3.03 8 2 1 o 1815.068 2079.533 -109.87 1.71977 2.40 3 3 2 o 4535.900 3605.783 -121.24 1.69555 2.77 9 2 0 o 1847.541 1904.902 -180.00 1.72469 0.31 6 6 1 o 4981.838 5185.370 -147.09 1.68090 1.36 4 2 2 o 3227.262 3208.999 57.19 1.67659 3.42 8 5 0 o 10927.088 12279.068 -180.00 1.68549 3.09 7 5 1 o 5616.130 4314.529 -122.60 1.66242 2.16 9 3 0 o 8433.570 8393.904 0.00 1.67610 2.59 8 3 1 o 1742.815 1659.892 -19.92 1.67159 1.75 4 3 2 o 2596.218 2426.603 20.45 1.63185 2.38 5 0 2 o 140.579 131.353 -90.00 1.63185 0.04 5 1 2 o 13594.623 14329.711 1.16 1.62332 9.30 9 0 1 o 14630.111 15212.347 90.00 1.60226 3.24 5 2 2 o 3259.426 3093.335 -12.88 1.59852 2.41 4 4 2 o 13718.741 14971.869 -0.40 1.57483 4.86 9 4 0 o 2224.835 2099.224 -180.00 1.61449 0.67 8 4 1 o 9878.379 9622.091 -47.70 1.61045 5.99 7 7 0 o 1709.775 1782.643 -180.00 1.60623 0.28 9 1 1 o 5380.534 4152.148 6.08 1.59418 3.25 10 0 0 o 0.000 119.952 0.00 1.59009 0.00 8 6 0 o 3712.706 2847.970 0.00 1.59009 1.03 7 6 1 o 2237.055 2505.794 -165.40 1.57068 1.06 6 0 2 o 8725.328 10068.231 0.00 1.54481 1.90 10 1 0 o 0.000 9.680 -180.00 1.58220 0.00 5 3 2 o 1516.291 1536.649 0.61 1.55960 1.03 9 2 1 o 2750.675 3087.352 105.85 1.57068 2.30 10 2 0 o 0.328 0.321 -180.00 1.55921 0.00 8 5 1 o 7620.082 7954.810 -121.85 1.54090 3.50 6 1 2 o 415.929 457.824 72.59 1.53757 0.20 9 3 1 o 1495.797 2040.368 -42.21 1.53371 1.23 5 4 2 o 5251.291 5033.461 10.08 1.50960 3.11 9 5 0 o 12164.401 14089.590 0.00 1.54443 3.01 6 2 2 o 335.146 264.255 172.04 1.51645 0.18 10 3 0 o 16783.967 11831.567 0.00 1.52303 3.70 #--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--# _[local]_cod_data_source_file 'ja908238w_si_004.hkl' _[local]_cod_data_source_block 'ClBPSSEt_2.9GPa'