data_4105337
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_page_first              16012
_journal_page_last               16013
_journal_volume                  131
_journal_year                    2009
_pd_meas_2theta_range_inc        0.01
_pd_meas_2theta_range_max        32.86
_pd_meas_2theta_range_min        1.0
_pd_meas_number_of_points        3187
_pd_proc_2theta_range_inc        0.01
_pd_proc_2theta_range_max        32.86
_pd_proc_2theta_range_min        1.0
_pd_proc_number_of_points        3187
_cod_data_source_file            ja908238w_si_002.hkl
_cod_data_source_block           ClBPSSEt_0.96GPa
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67404.0 . . .
67245.0 . . .
67176.0 . . .
67119.0 . . .
67148.0 . . .
67277.0 . . .
67100.0 . . .
67048.0 . . .
67168.0 . . .
66905.0 . . .
66910.0 . . .
67000.0 . . .
66804.0 . . .
66575.0 . . .
66299.0 . . .
66096.0 . . .
66068.0 . . .
66023.0 . . .
65948.0 . . .
65906.0 . . .
65782.0 . . .
65511.0 . . .
65400.0 . . .
65587.0 . . .
66203.0 . . .
66210.0 . . .
67291.0 . . .
66644.0 . . .
65480.0 . . .
65410.0 . . .
65159.0 . . .
65014.0 . . .
65333.0 . . .
64914.0 . . .
65039.0 . . .
65187.0 . . .
66913.0 . . .
70035.0 . . .
70709.0 . . .
71070.0 . . .
71413.0 . . .
72246.0 . . .
72772.0 . . .
73760.0 . . .
73939.0 . . .
75008.0 . . .
76731.0 . . .
79034.0 . . .
86440.0 . . .
101640.0 . . .
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 2084.568 1603.901 0.00 8.04729 14.42
2 1 0 o 4747.097 4356.052 180.00 7.19771 22.87
2 2 0 o 7512.701 9331.104 -180.00 5.69029 5.45
3 1 0 o 884.957 415.193 -180.00 5.08955 2.52
3 2 0 o 491.424 898.936 -180.00 4.46383 1.19
0 0 1 o 34779.074 35223.14 0.00 3.98958 27.34
4 0 0 o 936.591 1982.671 0.00 4.02364 1.62
1 0 1 o 162.890 124.280 -90.00 3.87238 0.50
4 1 0 o 17744.730 15984.871 -180.00 3.90351 27.58
3 3 0 o 13447.124 11566.931 -180.00 3.79353 4.34
1 1 1 o 11165.730 11471.564 98.71 3.76494 21.10
2 0 1 o 2924.769 2552.068 0.00 3.57442 7.00
4 2 0 o 4004.771 4859.987 -180.00 3.59886 4.83
2 1 1 o 12823.258 13187.444 -134.63 3.48940 64.92
2 2 1 o 81157.25 83557.88 140.41 3.26667 100.00
3 0 1 o 4005.279 4098.683 -90.00 3.20139 2.85
4 3 0 o 3511.595 2278.770 -180.00 3.21891 4.06
3 1 1 o 6205.141 5920.236 94.59 3.13988 6.66
5 1 0 o 123.242 89.315 180.00 3.15640 0.13
3 2 1 o 3007.924 3104.525 -89.08 2.97465 4.83
5 2 0 o 1096.114 2387.326 180.00 2.98869 1.00
4 4 0 o 44875.68 33660.301 0.00 2.84514 8.16
4 0 1 o 28516.801 27765.090 0.00 2.83303 23.52
4 1 1 o 5147.884 5086.126 -134.90 2.79013 8.49
3 3 1 o 23981.922 24484.611 128.89 2.74913 10.16
5 3 0 o 320.237 381.696 180.00 2.76020 0.27
6 0 0 o 19908.559 22707.449 -180.00 2.68243 15.34
4 2 1 o 18159.357 18471.193 84.03 2.67226 40.66
6 1 0 o 11641.790 12077.018 180.00 2.64593 9.15
5 4 0 o 1155.426 899.862 0.00 2.51355 0.70
6 2 0 o 51279.83 54352.71 180.00 2.54477 36.54
4 3 1 o 813.596 793.093 -89.47 2.50518 0.15
5 0 1 o 13334.597 13001.414 -90.00 2.50518 15.90
5 1 1 o 7652.274 7500.282 23.46 2.47537 12.63
6 3 0 o 5598.421 5257.698 180.00 2.39924 3.01
5 2 1 o 3103.273 2870.591 -92.59 2.39196 5.61
4 4 1 o 30874.703 31751.602 57.61 2.31644 19.40
5 5 0 o 8060.671 12408.215 0.00 2.27612 0.94
7 1 0 o 6942.034 11292.641 -180.00 2.27612 4.52
5 3 1 o 5370.048 4136.322 63.25 2.26990 0.20
6 4 0 o 1471.994 1048.003 0.00 2.23192 0.89
6 0 1 o 1544.922 1006.125 -180.00 2.22605 1.03
7 2 0 o 26406.379 28271.055 -180.00 2.21076 13.81
6 1 1 o 1333.910 1313.581 -157.39 2.20506 1.11
6 2 1 o 19826.455 19068.533 162.74 2.14548 21.10
5 4 1 o 7557.529 5907.995 -6.27 2.12667 8.11
7 3 0 o 4136.942 4729.701 -180.00 2.11332 1.81
6 5 0 o 2499.361 1942.515 -180.00 2.06070 0.88
6 3 1 o 8038.268 7191.310 -29.21 2.05608 5.13
0 0 2 o 31.723 43.074 180.00 1.99479 0.01
8 0 0 o 799.388 1868.757 0.00 2.01182 0.35
1 0 2 o 3.317 4.558 90.00 1.97964 0.00
5 5 1 o 2744.224 4192.993 8.06 1.97700 2.26
8 1 0 o 8991.758 12785.523 -180.00 1.99629 4.96
7 4 0 o 6029.902 8575.396 -180.00 1.99629 2.52
7 0 1 o 46.158 59.351 90.00 1.99209 0.01
1 1 2 o 11441.906 10873.736 -166.44 1.96484 5.32
7 1 1 o 879.393 1378.962 -179.77 1.97700 0.40
2 0 2 o 6930.059 6744.101 180.00 1.93619 5.31
8 2 0 o 824.053 661.066 -180.00 1.95175 0.32
6 4 1 o 2029.401 2078.244 -44.33 1.94783 2.02
2 1 2 o 3525.895 1628.906 -98.84 1.92233 3.37
7 2 1 o 678.888 611.853 -179.30 1.93372 0.55
2 2 2 o 31570.887 27802.537 -175.13 1.88247 14.98
6 6 0 o 7038.106 2917.225 0.00 1.89676 0.57
3 0 2 o 54.365 55.649 -90.00 1.86972 0.04
8 3 0 o 63.179 55.393 -180.00 1.88373 0.02
3 1 2 o 658.511 490.406 -150.25 1.85723 0.95
7 5 0 o 510.579 501.291 0.00 1.87096 0.21
7 3 1 o 3186.354 3519.277 -163.47 1.86750 2.29
6 5 1 o 3305.357 3053.285 -108.78 1.83089 3.52
3 2 2 o 129.425 108.335 117.88 1.82121 0.20
8 0 1 o 3880.087 3837.237 0.00 1.79635 0.26
4 0 2 o 26634.539 26882.443 0.00 1.78721 16.02
8 4 0 o 18911.879 17598.430 0.00 1.79943 5.73
4 1 2 o 832.222 709.273 95.38 1.77629 0.98
7 4 1 o 4272.497 4010.130 -98.80 1.78526 4.08
8 1 1 o 13651.410 12812.346 114.16 1.78526 9.51
3 3 2 o 5943.029 5971.757 -112.34 1.76557 5.05
9 1 0 o 3928.472 3303.296 0.00 1.77735 1.86
4 2 2 o 3803.132 3377.792 51.29 1.74470 4.84
8 2 1 o 2076.373 2136.715 -98.87 1.75320 2.44
9 2 0 o 1442.018 1244.471 -180.00 1.74570 0.44
7 6 0 o 12871.685 11151.398 -180.00 1.74570 2.91
6 6 1 o 0.000 6190.690 -145.85 1.71302 0.00
4 3 2 o 3280.431 3505.592 29.06 1.69560 3.70
5 0 2 o 133.497 142.677 -90.00 1.69560 0.05
7 5 1 o 5367.590 5759.631 -123.96 1.69394 4.31
8 5 0 o 11190.104 13794.788 -180.00 1.70602 3.81
8 3 1 o 2114.094 2459.249 -14.69 1.70340 1.47
5 1 2 o 16122.288 15498.792 2.35 1.68627 9.38
9 3 0 o 10070.956 10774.585 0.00 1.69652 3.20
5 2 2 o 4199.171 4009.725 -2.22 1.65917 2.41
8 4 1 o 11928.173 10227.577 -49.17 1.64030 6.33
4 4 2 o 18012.236 16989.838 -5.66 1.63334 5.58
9 0 1 o 19091.799 18444.426 90.00 1.63185 4.88
7 7 0 o 2797.360 2614.627 180.00 1.62580 0.17
9 1 1 o 4367.362 4348.649 13.39 1.62353 5.20
9 4 0 o 1110.825 1038.630 -180.00 1.63416 0.28
5 3 2 o 2084.634 1591.122 -4.77 1.61677 1.20
10 0 0 o 8.473 5.969 0.00 1.60946 0.00
8 6 0 o 2867.894 2019.634 0.00 1.60946 0.83
6 0 2 o 11434.145 9264.051 0.00 1.60070 2.05
9 2 1 o 5191.979 4087.377 104.81 1.59930 9.07
7 6 1 o 0.000 3262.323 -165.26 1.59930 0.00
6 1 2 o 888.189 369.600 78.29 1.59284 0.20
10 1 0 o 1.486 1.229 -180.00 1.60147 0.00
6 2 2 o 608.310 658.741 178.69 1.56994 0.16
8 5 1 o 8701.643 9046.761 -124.57 1.56862 4.67
10 2 0 o 31.688 51.930 0.00 1.57820 0.01
5 4 2 o 5527.894 6707.864 12.27 1.56252 1.88
9 3 1 o 1491.529 1883.476 -38.89 1.56122 1.42
9 5 0 o 10766.739 12871.331 0.00 1.56324 2.68
6 3 2 o 19415.885 17389.211 -3.93 1.53388 9.42
10 3 0 o 23824.686 17412.984 0.00 1.54158 6.18