#------------------------------------------------------------------------------
#$Date: 2016-04-07 01:50:15 +0300 (Thu, 07 Apr 2016) $
#$Revision: 181928 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/4/10/53/4105338.hkl $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4105338
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
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_pd_proc_2theta_range_min        0.9999
_pd_proc_number_of_points        3187
_cod_data_source_file            ja908238w_si_003.hkl
_cod_data_source_block           ClBPSSEt_1.48GPa
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68647.0 . . .
68716.0 . . .
68838.0 . . .
68848.0 . . .
68627.0 . . .
68612.0 . . .
68531.0 . . .
68555.0 . . .
68475.0 . . .
68585.0 . . .
68572.0 . . .
68484.0 . . .
68477.0 . . .
68450.0 . . .
68313.0 . . .
68349.0 . . .
68310.0 . . .
68339.0 . . .
68356.0 . . .
68476.0 . . .
68468.0 . . .
68427.0 . . .
68471.0 . . .
68430.0 . . .
68345.0 . . .
68179.0 . . .
68084.0 . . .
68090.0 . . .
68046.0 . . .
67903.0 . . .
67978.0 . . .
68065.0 . . .
68037.0 . . .
67809.0 . . .
67794.0 . . .
67738.0 . . .
67657.0 . . .
67559.0 . . .
67578.0 . . .
67581.0 . . .
67443.0 . . .
67370.0 . . .
67369.0 . . .
67356.0 . . .
67288.0 . . .
67213.0 . . .
67141.0 . . .
67075.0 . . .
67037.0 . . .
66947.0 . . .
66799.0 . . .
66778.0 . . .
66864.0 . . .
66826.0 . . .
66794.0 . . .
67000.0 . . .
66963.0 . . .
66770.0 . . .
66793.0 . . .
66670.0 . . .
66315.0 . . .
66206.0 . . .
66283.0 . . .
66211.0 . . .
66199.0 . . .
66152.0 . . .
66289.0 . . .
66205.0 . . .
65892.0 . . .
65557.0 . . .
65328.0 . . .
65324.0 . . .
64928.0 . . .
64758.0 . . .
64955.0 . . .
64891.0 . . .
65066.0 . . .
65410.0 . . .
67274.0 . . .
70079.0 . . .
70593.0 . . .
70579.0 . . .
70990.0 . . .
72012.0 . . .
72174.0 . . .
73279.0 . . .
73667.0 . . .
74593.0 . . .
76426.0 . . .
80292.0 . . .
89613.0 . . .
105769.0 . . .
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 1888.400 1873.714 0.00 8.03831 14.20
2 1 0 o 4186.740 4138.760 0.00 7.18968 18.90
2 2 0 o 7183.833 8502.283 180.00 5.68394 3.28
3 1 0 o 734.954 389.891 180.00 5.08387 1.98
3 2 0 o 946.357 830.518 0.00 4.45885 1.73
0 0 1 o 39180.71 37887.91 0.00 3.94232 23.94
4 0 0 o 815.270 1794.706 0.00 4.01915 1.19
1 0 1 o 66.588 40.932 90.00 3.82888 0.09
4 1 0 o 15179.356 15271.765 0.00 3.89915 21.22
1 1 1 o 10786.938 10648.548 94.64 3.72470 16.90
3 3 0 o 13841.087 11410.762 -180.00 3.78929 4.00
2 0 1 o 2834.951 2796.187 0.00 3.53955 6.51
4 2 0 o 3928.176 4682.164 180.00 3.59484 3.85
2 1 1 o 11820.355 11922.624 43.28 3.45676 51.72
2 2 1 o 80686.73 81434.77 139.66 3.23940 82.07
4 3 0 o 2456.438 2078.184 0.00 3.21532 3.01
3 0 1 o 3039.866 2981.605 90.00 3.17558 1.90
3 1 1 o 6366.072 5952.550 95.52 3.11538 5.84
5 1 0 o 116.686 88.885 180.00 3.15288 0.09
3 2 1 o 3388.389 3048.452 88.55 2.95346 4.67
5 2 0 o 992.740 2082.415 0.00 2.98535 0.78
4 4 0 o 33151.531 32725.580 0.00 2.84197 6.59
4 0 1 o 26114.434 25902.023 0.00 2.81441 19.08
3 3 1 o 26152.926 26519.555 128.35 2.73193 8.53
4 1 1 o 5334.081 5286.360 43.90 2.77225 7.12
5 3 0 o 300.945 308.320 180.00 2.75712 0.22
6 0 0 o 24405.139 24037.195 -180.00 2.67944 9.07
4 2 1 o 19018.586 18917.107 85.18 2.65630 35.42
6 1 0 o 13742.563 11497.225 0.00 2.64298 5.59
6 2 0 o 54660.08 53473.84 180.00 2.54194 31.79
4 3 1 o 915.612 892.482 85.88 2.49168 1.39
5 4 0 o 1477.504 1050.488 180.00 2.51074 1.19
5 0 1 o 12524.336 12235.791 90.00 2.49168 10.88
5 1 1 o 7214.320 6992.139 23.72 2.46228 10.12
6 3 0 o 7040.397 4694.077 0.00 2.39656 2.61
5 2 1 o 3617.483 3186.588 83.96 2.37997 4.97
4 4 1 o 32097.018 32970.387 60.09 2.30539 16.06
5 3 1 o 5083.839 4817.284 65.61 2.25939 1.49
7 1 0 o 8296.607 13534.349 180.00 2.27358 1.77
5 5 0 o 8655.721 13802.543 0.00 2.27358 1.11
6 0 1 o 1064.680 1002.291 180.00 2.21605 0.86
6 4 0 o 907.768 1259.300 0.00 2.22942 0.63
7 2 0 o 26117.836 26921.941 0.00 2.20829 9.65
6 1 1 o 1629.137 1328.435 20.05 2.19529 0.89
5 4 1 o 5239.003 5363.159 174.42 2.11773 5.71
6 2 1 o 17497.330 18174.508 162.25 2.13635 16.86
7 3 0 o 4117.284 5296.703 180.00 2.11096 1.42
6 3 1 o 5576.090 6456.540 149.97 2.04786 2.67
6 5 0 o 1378.546 1667.601 0.00 2.05840 0.66
8 0 0 o 0.000 808.155 0.00 2.00958 0.00
7 0 1 o 82.779 66.356 -90.00 1.98447 0.03
0 0 2 o 74.956 118.038 180.00 1.97116 0.01
7 4 0 o 9473.904 7867.229 0.00 1.99406 3.07
8 1 0 o 15066.172 12489.246 0.00 1.99406 1.29
5 5 1 o 3254.304 4712.916 11.16 1.96952 0.45
7 1 1 o 1125.318 1641.540 -175.13 1.96952 0.31
1 0 2 o 63.964 32.873 -90.00 1.95651 0.03
1 1 2 o 11754.220 10696.542 -167.77 1.94218 1.12
6 4 1 o 1678.201 1744.892 -37.57 1.94061 3.71
8 2 0 o 2088.203 1176.862 180.00 1.94958 0.50
7 2 1 o 582.242 727.504 5.18 1.92663 0.51
2 0 2 o 6860.155 6974.113 180.00 1.91444 3.21
2 1 2 o 1944.552 1248.223 79.45 1.90101 2.37
6 6 0 o 7076.807 4138.890 0.00 1.89465 0.47
2 2 2 o 26825.898 27073.203 -177.27 1.86235 10.65
8 3 0 o 63.653 143.852 0.00 1.88163 0.02
7 3 1 o 3671.236 3632.733 -164.35 1.86097 0.18
3 0 2 o 0.000 22.869 90.00 1.84998 0.00
7 5 0 o 699.994 751.142 0.00 1.86887 0.35
3 1 2 o 332.372 508.470 -160.67 1.83785 0.55
6 5 1 o 2673.238 2580.400 70.38 1.82465 1.74
3 2 2 o 46.594 56.026 -29.55 1.80285 0.05
8 0 1 o 2337.411 3013.335 0.00 1.79039 0.26
8 1 1 o 11529.851 11626.985 -64.45 1.77939 7.96
7 4 1 o 3533.462 3564.705 80.87 1.77939 5.21
8 4 0 o 18400.049 15559.127 0.00 1.79742 3.69
4 0 2 o 26678.967 25759.314 0.00 1.76977 8.67
3 3 2 o 5116.568 4248.430 -119.80 1.74871 0.68
4 1 2 o 492.038 326.797 -80.68 1.75915 0.40
9 1 0 o 3371.034 2917.927 0.00 1.77536 0.00
8 2 1 o 2964.362 2590.397 -100.50 1.74756 4.33
7 6 0 o 12591.320 10728.274 0.00 1.74375 2.84
4 2 2 o 3474.392 3595.208 54.62 1.72838 2.63
9 2 0 o 1606.649 1367.770 0.00 1.74375 0.29
6 6 1 o 0.000 4954.361 -144.55 1.70767 0.00
4 3 2 o 2765.463 2829.456 -158.03 1.68050 2.47
8 3 1 o 2391.242 2054.191 160.42 1.69812 0.26
7 5 1 o 5359.708 5044.208 -122.82 1.68873 2.40
8 5 0 o 12529.863 13953.285 0.00 1.70412 3.70
5 0 2 o 158.497 162.440 90.00 1.68050 0.10
9 3 0 o 9394.491 9544.600 0.00 1.69462 2.88
5 1 2 o 16175.849 15968.044 2.01 1.67140 7.40
5 2 2 o 3372.286 3627.670 170.07 1.64494 1.50
4 4 2 o 14308.160 14595.358 -2.52 1.61970 3.49
8 4 1 o 9674.666 9794.563 -51.56 1.63546 5.49
9 0 1 o 17457.074 17284.064 -90.00 1.62706 3.67
7 7 0 o 1776.981 1630.212 -180.00 1.62398 0.02
5 3 2 o 1496.598 1495.324 1.57 1.60351 1.09
9 1 1 o 3894.021 4061.516 6.37 1.61879 3.97
9 4 0 o 1295.035 1252.626 0.00 1.63233 0.27
10 0 0 o 0.000 78.997 0.00 1.60766 0.00
8 6 0 o 2078.642 2426.330 0.00 1.60766 0.54
6 0 2 o 10345.308 10281.609 0.00 1.58779 2.00
7 6 1 o 0.000 3191.963 15.53 1.59472 0.00
9 2 1 o 3502.739 3586.279 -73.43 1.59472 5.71
10 1 0 o 0.000 0.587 0.00 1.59968 0.00
6 1 2 o 473.830 414.451 -99.69 1.58010 0.23
6 2 2 o 238.881 293.795 175.94 1.55769 0.25
5 4 2 o 6984.334 6239.535 -168.88 1.55043 1.95
8 5 1 o 8323.716 9180.936 55.42 1.56423 2.51
10 2 0 o 71.707 124.559 0.00 1.57644 0.01
9 5 0 o 10510.056 12601.282 0.00 1.56150 1.78
9 3 1 o 1990.113 2403.134 -44.28 1.55688 0.48
6 3 2 o 17511.203 16268.101 176.19 1.52237 7.72
10 3 0 o 14843.726 15719.080 -180.00 1.53986 4.24
8 7 0 o 5157.141 2487.635 0.00 1.51236 0.20