data_4105340
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        32.85986
_pd_proc_2theta_range_min        0.99986
_pd_proc_number_of_points        3187
_cod_data_source_file            ja908238w_si_005.hkl
_cod_data_source_block           ClBPSSEt_3.89GPa
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67892.0 . . .
67882.0 . . .
67847.0 . . .
67858.0 . . .
67895.0 . . .
67796.0 . . .
67602.0 . . .
67499.0 . . .
67504.0 . . .
67396.0 . . .
67487.0 . . .
67461.0 . . .
67440.0 . . .
67399.0 . . .
67526.0 . . .
67553.0 . . .
67525.0 . . .
67460.0 . . .
67447.0 . . .
67431.0 . . .
67474.0 . . .
67509.0 . . .
67561.0 . . .
67669.0 . . .
67601.0 . . .
67525.0 . . .
67423.0 . . .
67383.0 . . .
67406.0 . . .
67329.0 . . .
67284.0 . . .
67218.0 . . .
67294.0 . . .
67295.0 . . .
67231.0 . . .
67108.0 . . .
67130.0 . . .
67162.0 . . .
67086.0 . . .
67028.0 . . .
67042.0 . . .
66932.0 . . .
66911.0 . . .
66793.0 . . .
66876.0 . . .
66851.0 . . .
66876.0 . . .
66748.0 . . .
66669.0 . . .
66896.0 . . .
66932.0 . . .
67000.0 . . .
67009.0 . . .
66897.0 . . .
66924.0 . . .
67064.0 . . .
67106.0 . . .
66885.0 . . .
66808.0 . . .
66653.0 . . .
66570.0 . . .
66476.0 . . .
66525.0 . . .
66502.0 . . .
66464.0 . . .
66511.0 . . .
66288.0 . . .
66260.0 . . .
66074.0 . . .
65931.0 . . .
65908.0 . . .
65808.0 . . .
65927.0 . . .
65845.0 . . .
65850.0 . . .
65760.0 . . .
65630.0 . . .
65562.0 . . .
65459.0 . . .
65341.0 . . .
65478.0 . . .
65541.0 . . .
65319.0 . . .
64950.0 . . .
64885.0 . . .
64994.0 . . .
64870.0 . . .
64938.0 . . .
65021.0 . . .
65095.0 . . .
64939.0 . . .
64705.0 . . .
64513.0 . . .
64331.0 . . .
64597.0 . . .
64399.0 . . .
63990.0 . . .
63809.0 . . .
63735.0 . . .
64141.0 . . .
64509.0 . . .
66913.0 . . .
69757.0 . . .
69786.0 . . .
69270.0 . . .
69803.0 . . .
70533.0 . . .
71254.0 . . .
71949.0 . . .
71791.0 . . .
72484.0 . . .
74398.0 . . .
77706.0 . . .
85640.0 . . .
101665.0 . . .
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 3217.215 3254.115 0.00 7.91883 24.97
2 1 0 o 3229.332 3163.541 0.00 7.08282 20.00
2 2 0 o 7440.878 7751.078 180.00 5.59946 4.48
3 1 0 o 809.605 197.168 -180.00 5.00831 1.77
3 2 0 o 353.458 494.878 0.00 4.39258 1.92
4 0 0 o 1905.384 3144.510 0.00 3.95942 2.36
0 0 1 o 40511.21 40388.84 0.00 3.73814 28.41
3 3 0 o 11940.934 11836.720 180.00 3.73297 4.49
4 1 0 o 12813.855 12893.132 0.00 3.84120 22.38
1 0 1 o 41.842 27.769 -90.00 3.63817 0.07
1 1 1 o 10621.670 10261.059 -94.00 3.54582 16.21
4 2 0 o 4395.864 4324.840 180.00 3.54141 7.01
2 0 1 o 3046.640 2897.427 0.00 3.38042 8.23
2 1 1 o 11509.210 11251.075 -43.77 3.30596 62.29
4 3 0 o 2309.030 1825.854 0.00 3.16753 5.34
2 2 1 o 81908.40 82586.77 -140.85 3.10900 100.00
3 0 1 o 2554.915 2493.982 -90.00 3.05077 1.45
5 1 0 o 2.584 2.599 180.00 3.10602 0.00
3 1 1 o 6391.982 6197.244 -97.15 2.99570 6.64
5 2 0 o 565.661 1355.698 0.00 2.94098 0.48
4 4 0 o 32808.266 35649.41 0.00 2.79973 8.97
3 2 1 o 2715.676 2597.085 -90.35 2.84681 5.47
4 0 1 o 30107.355 29703.346 0.00 2.71813 25.03
5 3 0 o 353.336 349.203 -180.00 2.71614 0.51
3 3 1 o 29984.020 30767.666 -129.31 2.64144 19.15
4 1 1 o 5155.866 5111.985 -42.58 2.67896 8.79
6 0 0 o 25409.408 25415.188 -180.00 2.63961 4.16
4 2 1 o 20248.572 20372.943 -86.34 2.57089 41.74
6 1 0 o 10786.124 10956.075 0.00 2.60370 7.62
5 4 0 o 1778.211 1516.308 -180.00 2.47343 2.02
6 2 0 o 64800.27 65572.41 -180.00 2.50416 42.78
4 3 1 o 700.615 682.023 -69.11 2.41662 1.03
5 0 1 o 13440.799 13141.977 -90.00 2.41662 13.98
5 1 1 o 8847.790 8568.111 -24.81 2.38897 11.72
6 3 0 o 7336.233 5124.086 0.00 2.36094 5.65
5 2 1 o 3348.810 3187.782 -85.07 2.31138 6.16
4 4 1 o 40920.97 41920.27 -60.25 2.24090 15.75
5 5 0 o 17119.203 17589.281 0.00 2.23978 3.53
7 1 0 o 19093.131 19443.621 180.00 2.23978 8.17
5 3 1 o 6592.211 6838.180 -67.31 2.19734 1.57
6 4 0 o 1161.352 1209.756 0.00 2.19629 1.05
6 0 1 o 631.780 575.044 180.00 2.15623 1.18
7 2 0 o 26717.734 27567.613 0.00 2.17547 11.37
6 1 1 o 2274.471 1596.256 -31.60 2.13652 0.95
6 2 1 o 23729.617 23881.137 -159.26 2.08048 24.40
5 4 1 o 5753.227 5315.732 -177.14 2.06276 7.57
7 3 0 o 9480.789 9539.345 -180.00 2.07959 6.62
6 5 0 o 2190.349 1584.046 0.00 2.02781 1.38
6 3 1 o 7161.848 6738.869 -148.17 1.99615 2.89
8 0 0 o 0.000 319.496 0.00 1.97971 0.00
5 5 1 o 6926.281 8417.205 -19.58 1.92130 0.75
8 1 0 o 15520.904 15060.847 0.00 1.96442 3.32
7 4 0 o 7782.282 7554.099 0.00 1.96442 3.88
7 0 1 o 174.198 98.553 -90.00 1.93560 0.33
7 1 1 o 1743.656 2148.374 175.84 1.92130 1.49
8 2 0 o 3317.621 4173.589 -180.00 1.92060 0.85
0 0 2 o 2.190 2.243 180.00 1.86907 0.00
6 4 1 o 470.587 1370.577 11.45 1.89364 1.31
1 0 2 o 14.073 10.766 90.00 1.85619 0.01
7 2 1 o 508.192 750.902 -18.37 1.88024 0.46
1 1 2 o 11984.819 11736.565 168.28 1.84357 6.12
6 6 0 o 4563.877 4238.730 0.00 1.86649 0.69
2 0 2 o 8171.347 8098.233 -180.00 1.81909 6.64
7 5 0 o 798.027 807.257 0.00 1.84109 0.42
2 1 2 o 2097.453 1680.077 -79.08 1.80721 3.95
8 3 0 o 715.568 556.950 0.00 1.85366 0.42
7 3 1 o 5645.377 5625.669 169.84 1.81730 0.93
6 5 1 o 3026.148 2516.113 -68.04 1.78244 3.73
2 2 2 o 36391.28 34978.285 177.84 1.77291 11.31
3 0 2 o 52.196 48.643 -90.00 1.76191 0.00
3 1 2 o 1055.193 1126.735 166.87 1.75110 0.92
8 4 0 o 18971.111 19056.939 0.00 1.77071 9.54
8 0 1 o 4071.989 4429.250 0.00 1.74951 4.08
3 2 2 o 53.145 52.901 36.15 1.71985 0.05
8 1 1 o 11105.276 10767.319 62.76 1.73893 7.63
7 4 1 o 4245.026 4120.161 -83.84 1.73893 6.59
9 1 0 o 3075.038 3380.106 0.00 1.74898 0.18
7 6 0 o 12356.271 12382.563 0.00 1.71784 4.45
4 0 2 o 31074.145 30663.994 0.00 1.69021 10.26
8 2 1 o 2947.487 3142.580 113.31 1.70831 2.05
4 1 2 o 384.812 379.087 74.12 1.68067 0.27
9 2 0 o 2665.886 2668.082 0.00 1.71784 0.39
3 3 2 o 5908.248 5491.700 126.14 1.67128 2.15
6 6 1 o 6216.409 5683.815 154.69 1.66990 3.76
8 5 0 o 17156.875 17220.215 0.00 1.67879 4.53
4 2 2 o 3838.822 3569.409 -60.72 1.65298 10.66
7 5 1 o 0.000 4546.886 127.92 1.65164 0.00
8 3 1 o 0.000 2306.196 -161.85 1.66069 0.00
9 3 0 o 10282.540 9488.122 0.00 1.66944 4.18
4 3 2 o 2669.256 2812.221 154.40 1.60972 3.77
5 0 2 o 138.599 146.407 -90.00 1.60972 0.14
5 1 2 o 20157.613 20376.172 -1.73 1.60147 0.00
9 4 0 o 2376.679 2599.664 0.00 1.60807 1.39
8 4 1 o 12821.983 13007.149 48.40 1.60025 15.15
7 7 0 o 1919.542 1953.627 180.00 1.59985 0.20
5 2 2 o 2650.633 3102.641 -173.70 1.57746 2.05
4 4 2 o 19833.316 19943.668 1.37 1.55450 6.19
9 0 1 o 18077.648 17879.789 90.00 1.59215 3.74
9 1 1 o 6351.428 6577.869 -2.20 1.58416 5.10
8 6 0 o 3992.478 4135.755 0.00 1.58377 1.09
10 0 0 o 0.000 474.186 0.00 1.58377 0.00
7 6 1 o 0.000 3873.263 -13.44 1.56091 0.00
10 1 0 o 0.000 101.391 0.00 1.57591 0.00
9 2 1 o 3450.328 3936.840 70.30 1.56091 5.13
5 3 2 o 0.000 2087.861 0.79 1.53974 0.00
10 2 0 o 21.162 20.690 180.00 1.55301 0.00
8 5 1 o 11144.432 10602.683 -54.12 1.53144 2.90
6 0 2 o 13433.199 13513.556 0.00 1.52539 6.53
9 3 1 o 0.000 3925.060 46.18 1.52433 0.00
9 5 0 o 20399.973 21533.883 0.00 1.53829 5.19
6 1 2 o 0.000 401.169 93.33 1.51836 0.00
5 4 2 o 6807.815 6968.182 172.22 1.49120 2.51
10 3 0 o 19098.689 16075.140 -180.00 1.51697 4.57
6 2 2 o 487.576 532.314 -172.39 1.49785 0.66
8 7 0 o 2922.502 2969.384 0.00 1.48988 0.55