#------------------------------------------------------------------------------
#$Date: 2016-04-03 06:31:57 +0300 (Sun, 03 Apr 2016) $
#$Revision: 181248 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/23/26/2232654.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_2232654_Fobs
loop_
_publ_author_name
'Talmon-Gros, Pia'
'Schurz, Christian M.'
'Schleid, Thomas'
_publ_section_title
;
 The <i>matlockite</i>-type praseodymium(III) oxide bromide PrOBr
;
_journal_coeditor_code           FI2117
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i74
_journal_volume                  67
_journal_year                    2011
_space_group_IT_number           129
_symmetry_space_group_name_Hall  '-P 4a 2a'
_symmetry_space_group_name_H-M   'P 4/n m m :2'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   4.0671
_cell_length_b                   4.0671
_cell_length_c                   7.4669
_exptl_crystal_F_000             204.00
_reflns_d_resolution_high        0.7594
_cod_data_source_file            fi2117Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     '   Pr O Br  (ccdcm79 in P4/nmm)'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            142.40
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x+1/2, -y, -z'
'-x+1/2, -y+1/2, z'
'-x, y+1/2, -z'
'y+1/2, x+1/2, -z'
'y, -x+1/2, z'
'-y+1/2, x, z'
'-y, -x, -z'
'-x, -y, -z'
'-x-1/2, y, z'
'x-1/2, y-1/2, -z'
'x, -y-1/2, z'
'-y-1/2, -x-1/2, z'
'-y, x-1/2, -z'
'y-1/2, -x, -z'
'y, x, z'
loop_
_refln_index_h
_refln_index_k
_refln_index_l
_refln_F_squared_calc
_refln_F_squared_meas
_refln_F_squared_sigma
_refln_observed_status
1 1 0 19653.25 16991.33 681.65 o
0 2 0 20279.12 18954.93 850.99 o
2 2 0 13412.32 12293.57 546.74 o
1 3 0 9155.92 8594.38 335.06 o
3 3 0 5447.38 5636.93 228.79 o
0 4 0 7409.37 7414.73 381.48 o
2 4 0 5778.92 6217.75 202.48 o
1 5 0 3459.75 3760.59 123.75 o
0 1 1 1509.75 1361.86 62.77 o
1 1 1 38.35 36.65 1.04 o
0 2 1 640.44 560.19 15.91 o
1 2 1 1058.43 950.37 19.05 o
2 2 1 422.81 413.36 16.89 o
0 3 1 803.83 727.38 30.63 o
1 3 1 70.76 75.13 3.29 o
2 3 1 657.41 641.07 10.54 o
3 3 1 73.72 85.00 4.95 o
0 4 1 261.29 276.08 9.49 o
1 4 1 558.94 552.83 12.73 o
2 4 1 223.13 241.13 5.80 o
3 4 1 425.66 424.82 8.84 o
0 5 1 425.66 436.56 17.33 o
1 5 1 69.38 74.15 4.15 o
0 0 2 1538.39 1563.45 62.65 o
0 1 2 19610.03 21565.09 497.61 o
1 1 2 3071.27 3004.71 61.40 o
0 2 2 1054.14 969.11 37.10 o
1 2 2 12293.62 11898.53 279.48 o
2 2 2 802.33 775.70 21.96 o
0 3 2 8775.50 8512.15 324.50 o
1 3 2 1339.14 1290.23 28.50 o
2 3 2 6616.71 6829.59 138.51 o
3 3 2 780.52 803.07 24.88 o
0 4 2 506.60 483.77 14.49 o
1 4 2 5131.23 5367.17 109.52 o
2 4 2 409.25 414.09 10.64 o
3 4 2 3236.88 3296.24 75.72 o
0 5 2 3236.88 3323.48 61.82 o
1 5 2 501.50 513.97 15.79 o
0 0 3 1044.79 1126.18 93.07 o
0 1 3 68.99 72.84 2.67 o
1 1 3 2283.73 2360.89 49.39 o
0 2 3 861.61 843.35 25.42 o
1 2 3 39.65 40.19 1.25 o
2 2 3 728.48 681.46 20.67 o
0 3 3 24.67 21.18 3.76 o
1 3 3 1230.13 1201.09 27.37 o
2 3 3 15.32 15.25 1.57 o
3 3 3 853.11 912.19 19.62 o
0 4 3 561.09 535.33 19.18 o
1 4 3 9.33 10.75 2.16 o
2 4 3 498.85 499.40 12.23 o
3 4 3 3.14 7.74 3.45 o
0 5 3 3.14 1.19 6.70 o
1 5 3 642.00 578.66 20.11 o
0 0 4 7660.48 8130.71 695.75 o
0 1 4 5157.60 5631.10 120.81 o
1 1 4 8744.05 9378.39 192.22 o
0 2 4 5429.52 5605.76 137.91 o
1 2 4 3678.40 3687.28 63.25 o
2 2 4 4085.53 4144.63 125.76 o
0 3 4 2788.30 2784.84 84.30 o
1 3 4 4595.74 4693.91 87.94 o
2 3 4 2180.24 2186.42 45.78 o
3 3 4 2771.23 3020.06 82.10 o
0 4 4 2479.14 2469.10 67.47 o
1 4 4 1737.02 1751.58 39.41 o
2 4 4 1968.09 1998.47 45.90 o
0 0 5 1140.82 1161.20 40.60 o
0 1 5 803.21 851.21 18.04 o
1 1 5 392.70 391.26 12.12 o
0 2 5 791.18 871.34 27.13 o
1 2 5 659.31 684.39 14.00 o
2 2 5 584.45 566.57 20.97 o
0 3 5 566.51 565.75 18.85 o
1 3 5 246.36 240.92 6.50 o
2 3 5 497.84 495.30 11.23 o
3 3 5 157.57 162.12 9.12 o
0 4 5 350.75 339.86 15.94 o
1 4 5 442.77 430.50 10.78 o
2 4 5 279.55 280.74 12.13 o
0 0 6 6373.52 6690.43 237.97 o
0 1 6 2106.50 2261.17 51.37 o
1 1 6 4303.80 4403.22 103.62 o
0 2 6 4808.52 5378.12 119.14 o
1 2 6 1582.16 1615.71 39.12 o
2 2 6 3745.17 3780.04 152.18 o
0 3 6 1214.14 1179.44 32.74 o
1 3 6 2682.86 2739.43 78.35 o
2 3 6 945.25 894.71 22.96 o
3 3 6 1758.72 1557.59 71.72 o
0 4 6 2399.29 2332.96 69.17 o
1 4 6 744.38 692.68 13.34 o
0 0 7 255.34 256.65 13.70 o
0 1 7 1051.34 1133.80 30.26 o
1 1 7 72.93 76.89 6.21 o
0 2 7 226.26 242.49 8.06 o
1 2 7 839.34 896.80 29.88 o
2 2 7 206.01 198.85 10.22 o
0 3 7 680.99 661.45 26.60 o
1 3 7 80.11 76.89 4.34 o
2 3 7 559.33 480.87 19.74 o
0 0 8 282.92 273.72 15.21 o
0 1 8 3479.39 3703.25 78.03 o
1 1 8 100.09 121.10 9.42 o
0 2 8 208.14 191.51 13.98 o
1 2 8 2777.23 2748.06 125.19 o
2 2 8 155.39 136.48 14.87 o
0 3 8 2243.32 1990.65 176.41 o
0 0 9 758.23 743.64 43.00 o
0 1 9 3.47 6.05 6.02 o
1 1 9 957.10 883.99 42.63 o
0 2 9 634.68 584.68 27.14 o