#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/12/2201252.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_2201252_Fobs
loop_
_publ_author_name
'Bouzemi, Besma'
'Boughzala, Habib'
'Jouini, Tahar'
_publ_section_title
;
 Na~3~Cr~2~(AsO~4~)~3~: trisodium dichromium(III) triarsenate
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i117
_journal_page_last               i118
_journal_volume                  58
_journal_year                    2002
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   12.1882
_cell_length_b                   12.1882
_cell_length_c                   12.1881
_exptl_crystal_F_000             1104.00
_reflns_d_resolution_high        0.7133
_[local]_cod_data_source_file    br6064Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     '  bes2 in I a -3 d'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            784.35
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x, -y, -z+1/2'
'-x+1/2, -y, z+1/2'
'-x+1/2, y, -z'
'-y+1/4, x+3/4, z+1/4'
'y+1/4, x+3/4, -z+3/4'
'y+1/4, -x+1/4, z+3/4'
'-y+1/4, -x+1/4, -z+1/4'
'y, z, x'
'-y+1/2, -z, x+1/2'
'y, -z, -x+1/2'
'-y+1/2, z, -x'
'-z+1/4, y+3/4, x+1/4'
'-z+1/4, -y+1/4, -x+1/4'
'z+1/4, -y+1/4, x+3/4'
'z+1/4, y+3/4, -x+3/4'
'z, x, y'
'-z, x+1/2, -y+1/2'
'-z, -x+1/2, y'
'z, -x, -y+1/2'
'-x+1/4, -z+1/4, -y+1/4'
'-x+1/4, z+3/4, y+1/4'
'x+3/4, -z+3/4, y+1/4'
'x+1/4, z+3/4, -y+3/4'
'x+1/2, y+1/2, z+1/2'
'x+1/2, -y+1/2, -z+1'
'-x+1, -y+1/2, z+1'
'-x+1, y+1/2, -z+1/2'
'-y+3/4, x+5/4, z+3/4'
'y+3/4, x+5/4, -z+5/4'
'y+3/4, -x+3/4, z+5/4'
'-y+3/4, -x+3/4, -z+3/4'
'y+1/2, z+1/2, x+1/2'
'-y+1, -z+1/2, x+1'
'y+1/2, -z+1/2, -x+1'
'-y+1, z+1/2, -x+1/2'
'-z+3/4, y+5/4, x+3/4'
'-z+3/4, -y+3/4, -x+3/4'
'z+3/4, -y+3/4, x+5/4'
'z+3/4, y+5/4, -x+5/4'
'z+1/2, x+1/2, y+1/2'
'-z+1/2, x+1, -y+1'
'-z+1/2, -x+1, y+1/2'
'z+1/2, -x+1/2, -y+1'
'-x+3/4, -z+3/4, -y+3/4'
'-x+3/4, z+5/4, y+3/4'
'x+5/4, -z+5/4, y+3/4'
'x+3/4, z+5/4, -y+5/4'
'-x, -y, -z'
'-x, y, z-1/2'
'x-1/2, y, -z-1/2'
'x-1/2, -y, z'
'y-1/4, -x-3/4, -z-1/4'
'-y-1/4, -x-3/4, z-3/4'
'-y-1/4, x-1/4, -z-3/4'
'y-1/4, x-1/4, z-1/4'
'-y, -z, -x'
'y-1/2, z, -x-1/2'
'-y, z, x-1/2'
'y-1/2, -z, x'
'z-1/4, -y-3/4, -x-1/4'
'z-1/4, y-1/4, x-1/4'
'-z-1/4, y-1/4, -x-3/4'
'-z-1/4, -y-3/4, x-3/4'
'-z, -x, -y'
'z, -x-1/2, y-1/2'
'z, x-1/2, -y'
'-z, x, y-1/2'
'x-1/4, z-1/4, y-1/4'
'x-1/4, -z-3/4, -y-1/4'
'-x-3/4, z-3/4, -y-1/4'
'-x-1/4, -z-3/4, y-3/4'
'-x+1/2, -y+1/2, -z+1/2'
'-x+1/2, y+1/2, z'
'x, y+1/2, -z'
'x, -y+1/2, z+1/2'
'y+1/4, -x-1/4, -z+1/4'
'-y+1/4, -x-1/4, z-1/4'
'-y+1/4, x+1/4, -z-1/4'
'y+1/4, x+1/4, z+1/4'
'-y+1/2, -z+1/2, -x+1/2'
'y, z+1/2, -x'
'-y+1/2, z+1/2, x'
'y, -z+1/2, x+1/2'
'z+1/4, -y-1/4, -x+1/4'
'z+1/4, y+1/4, x+1/4'
'-z+1/4, y+1/4, -x-1/4'
'-z+1/4, -y-1/4, x-1/4'
'-z+1/2, -x+1/2, -y+1/2'
'z+1/2, -x, y'
'z+1/2, x, -y+1/2'
'-z+1/2, x+1/2, y'
'x+1/4, z+1/4, y+1/4'
'x+1/4, -z-1/4, -y+1/4'
'-x-1/4, z-1/4, -y+1/4'
'-x+1/4, -z-1/4, y-1/4'
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 2 42068.13 43870.32 219.29 o
0 2 2 4544.65 4419.38 47.17 o
1 2 3 33115.19 33541.54 334.28 o
2 3 3 87211.96 89839.52 420.74 o
0 0 4 403541.19 391522.44 15188.75 o
0 2 4 297852.34 295308.34 2100.34 o
2 2 4 175185.34 161951.59 608.79 o
1 3 4 14129.34 15659.05 110.03 o
0 4 4 4333.20 6224.07 575.46 o
4 4 4 279231.59 285628.75 3647.63 o
1 2 5 2548.84 2402.78 49.52 o
2 3 5 1909.71 1820.70 74.92 o
1 4 5 177.28 212.53 22.95 o
3 4 5 1726.21 1860.72 52.12 o
2 5 5 7386.69 7613.37 119.17 o
1 1 6 799.13 1207.52 61.80 o
0 2 6 13736.99 13638.71 101.79 o
1 3 6 29842.80 30063.31 148.08 o
3 3 6 11897.10 11540.99 196.28 o
0 4 6 251013.41 252538.02 849.21 o
2 4 6 259377.00 260560.48 1050.39 o
1 5 6 12374.59 12601.74 89.24 o
3 5 6 36281.02 35977.36 222.10 o
5 5 6 10636.81 10817.69 131.31 o
0 6 6 41.52 141.93 61.64 o
4 6 6 152862.39 150794.33 466.31 o
1 2 7 21211.95 21399.58 318.15 o
2 3 7 27013.68 26771.98 203.31 o
1 4 7 4497.31 4706.04 78.35 o
3 4 7 1265.69 1079.05 67.62 o
2 5 7 30601.02 30417.63 232.24 o
4 5 7 4387.70 4208.88 70.33 o
1 6 7 36494.74 35753.96 158.48 o
3 6 7 13650.52 13548.21 129.53 o
5 6 7 4819.43 4836.95 79.41 o
2 7 7 5060.41 5067.92 237.30 o
6 7 7 22572.01 22563.82 210.19 o
0 0 8 615212.44 610342.81 19185.72 o
0 2 8 892.11 1008.17 107.04 o
2 2 8 2819.48 2829.94 135.23 o
1 3 8 61.24 101.94 47.25 o
0 4 8 190159.75 189685.08 1120.83 o
2 4 8 152247.00 153055.97 1194.16 o
4 4 8 1989.94 2049.27 86.51 o
1 5 8 4571.79 4542.27 134.44 o
3 5 8 8917.90 8669.16 110.96 o
0 6 8 10.72 65.35 52.02 o
2 6 8 1091.24 2297.31 787.75 o
4 6 8 113323.00 112202.87 352.77 o
6 6 8 37.32 50.58 84.00 o
1 7 8 131.90 150.47 55.54 o
3 7 8 2948.16 2867.78 89.20 o
5 7 8 942.26 901.07 59.63 o
0 8 8 451731.59 464593.47 1857.22 o
4 8 8 88436.51 87302.85 410.93 o
8 8 8 311613.94 321593.41 1588.55 o
1 2 9 13147.83 12665.30 170.36 o
2 3 9 8048.37 7477.50 145.57 o
1 4 9 8701.41 8180.81 90.39 o
3 4 9 1760.44 1705.31 73.15 o
2 5 9 17016.94 16952.27 393.13 o
4 5 9 235.03 239.89 40.71 o
1 6 9 8318.25 8198.95 95.90 o
3 6 9 6104.93 6231.77 125.07 o
5 6 9 9478.38 9422.89 145.41 o
2 7 9 14048.93 14000.29 169.32 o
4 7 9 764.31 779.78 96.80 o
6 7 9 2376.03 2521.42 80.07 o
1 8 9 1544.91 1531.12 65.76 o
3 8 9 314.08 255.31 80.00 o
5 8 9 911.90 889.56 39.68 o
7 8 9 18.43 59.26 73.13 o
2 9 9 5212.26 5074.98 171.34 o
6 9 9 27075.74 26822.76 264.41 o
1 1 10 25012.46 24344.60 775.03 o
0 2 10 11732.27 11040.11 155.35 o
1 3 10 11785.42 11625.20 136.90 o
3 3 10 9782.36 9629.35 245.96 o
0 4 10 129891.20 127087.51 1371.53 o
2 4 10 136262.53 135410.69 1611.54 o
1 5 10 8205.68 8094.34 158.20 o
3 5 10 6933.47 6985.60 166.83 o
5 5 10 9537.58 9622.83 196.05 o
0 6 10 1909.04 1879.71 76.32 o
2 6 10 490.27 838.07 237.09 o
4 6 10 82355.27 81359.01 603.50 o
1 7 10 5888.20 6235.04 106.63 o
3 7 10 8745.43 8717.97 156.31 o
5 7 10 11104.07 11253.33 154.88 o
7 7 10 7613.66 7651.76 207.31 o
0 8 10 59.16 589.23 201.83 o
2 8 10 185.06 328.18 99.00 o
4 8 10 87003.38 87220.80 560.66 o
6 8 10 681.13 759.66 108.13 o
1 9 10 9033.82 8945.26 133.00 o
3 9 10 10486.21 10540.94 183.52 o
5 9 10 10337.15 9852.97 162.91 o
7 9 10 8351.94 8008.42 161.41 o
9 9 10 3009.59 2839.76 164.88 o
0 10 10 19448.97 19430.32 623.71 o
4 10 10 73169.88 71993.20 749.58 o
8 10 10 558.12 699.30 241.67 o
1 2 11 11017.39 11058.84 197.23 o
1 4 11 2616.72 2497.52 96.32 o
3 4 11 0.40 48.64 107.04 o
2 5 11 17954.50 17916.13 249.93 o
4 5 11 32.70 0.29 81.64 o
1 6 11 12475.58 12780.28 163.81 o
3 6 11 1344.37 1750.66 153.83 o
5 6 11 8392.40 8530.78 176.50 o
2 7 11 6023.35 5755.84 199.86 o
4 7 11 3201.23 3042.59 113.21 o
6 7 11 6361.67 6332.94 139.03 o
1 8 11 957.42 995.56 79.81 o
3 8 11 717.10 727.85 92.25 o
5 8 11 1433.95 1490.83 89.89 o
7 8 11 239.33 290.44 105.90 o
2 9 11 6802.60 6794.56 290.89 o
4 9 11 419.51 422.38 79.91 o
6 9 11 16445.47 16246.27 258.81 o
8 9 11 29.61 152.74 115.62 o
1 10 11 7080.76 7123.02 316.41 o
3 10 11 10964.41 12446.55 365.98 o
5 10 11 9008.25 8818.92 239.33 o
7 10 11 6179.82 6198.85 384.80 o
6 11 11 12058.12 11752.39 395.46 o
0 0 12 48972.06 49611.80 581.57 o
0 2 12 97488.47 99081.15 1097.51 o
1 3 12 1096.26 1082.57 67.34 o
0 4 12 1114.94 1235.79 59.27 o
2 4 12 9.54 314.84 138.65 o
4 4 12 55918.57 55513.91 767.17 o
1 5 12 74.13 798.14 378.15 o
3 5 12 1134.06 1083.26 72.59 o
0 6 12 70312.66 70368.45 522.51 o
2 6 12 58895.05 59541.56 473.85 o
4 6 12 115.14 80.31 108.28 o
6 6 12 68224.34 68864.45 528.04 o
1 7 12 146.92 334.49 92.67 o
3 7 12 1594.10 1916.13 310.73 o
5 7 12 10.74 90.08 140.67 o
0 8 12 69649.70 68755.47 1202.38 o
2 8 12 66478.66 68241.51 531.05 o
4 8 12 608.98 662.57 86.19 o
6 8 12 59040.18 58608.80 668.34 o
8 8 12 57773.70 56649.00 531.05 o
1 9 12 232.49 506.07 107.54 o
3 9 12 126.23 19.53 156.17 o
5 9 12 30.42 84.16 119.95 o
7 9 12 247.23 173.62 126.83 o
0 10 12 50102.94 49463.73 912.04 o
2 10 12 62407.72 64670.20 776.84 o
4 10 12 2.33 144.72 161.12 o
6 10 12 62411.76 60536.91 987.75 o
1 11 12 405.91 596.13 167.27 o
5 11 12 93.40 4.61 180.48 o
0 12 12 143.33 723.08 249.19 o
1 2 13 13473.09 13294.81 246.16 o
1 4 13 12.86 37.40 94.46 o
3 4 13 143.85 89.10 139.17 o
2 5 13 21284.11 21276.36 667.42 o
4 5 13 697.35 856.44 61.79 o
1 6 13 13414.47 13688.01 202.48 o
3 6 13 9992.08 9999.65 238.05 o
5 6 13 3691.54 3606.45 133.45 o
2 7 13 3029.77 3598.91 250.95 o
4 7 13 55.65 242.71 103.94 o
6 7 13 6962.33 7116.87 189.45 o
1 8 13 227.85 396.51 82.94 o
3 8 13 1080.50 1132.24 251.61 o
5 8 13 2321.74 2144.42 99.20 o
7 8 13 731.18 871.05 74.89 o
2 9 13 7895.54 8052.40 501.22 o
4 9 13 32.40 241.77 123.37 o
6 9 13 4773.91 4460.83 160.91 o
1 10 13 4292.55 4354.51 174.19 o
3 10 13 5612.90 6189.21 341.25 o
1 1 14 12804.25 13705.36 371.90 o
0 2 14 414.67 444.05 120.75 o
1 3 14 3822.97 3859.72 277.85 o
0 4 14 60988.31 61538.34 621.79 o
2 4 14 91620.73 94118.05 1889.70 o
1 5 14 11981.49 12389.27 187.39 o
3 5 14 4590.94 4845.00 205.61 o
5 5 14 9244.95 9327.13 258.42 o
0 6 14 535.48 829.07 94.36 o
2 6 14 87.37 300.75 160.14 o
4 6 14 49035.50 48927.38 514.42 o
1 7 14 2872.49 2898.48 130.49 o
3 7 14 5419.59 5221.57 409.84 o
5 7 14 7499.47 7265.36 174.56 o
0 8 14 383.63 840.18 244.21 o
2 8 14 367.29 455.49 179.09 o
4 8 14 47659.43 46476.64 536.14 o
1 9 14 7176.19 7092.39 209.81 o
3 9 14 7041.39 6348.78 261.79 o
1 2 15 3641.81 4108.39 294.91 o
1 4 15 75.90 71.86 116.70 o
3 4 15 615.38 251.53 178.58 o
2 5 15 8628.02 9432.00 257.79 o
4 5 15 236.56 370.37 125.07 o
1 6 15 8759.86 8847.53 185.42 o
3 6 15 6631.52 6519.00 250.76 o
5 6 15 6733.77 6573.55 178.16 o
2 7 15 6168.84 5903.81 252.03 o
4 7 15 0.74 158.55 155.99 o
1 8 15 1325.72 1448.61 93.51 o
0 0 16 147635.78 153322.45 4774.30 o
0 2 16 403.73 478.66 96.18 o
1 3 16 602.04 781.64 211.86 o
0 4 16 45280.32 44046.82 499.42 o
2 4 16 51787.86 52201.61 737.52 o
4 4 16 243.02 500.16 183.05 o
1 5 16 50.01 79.56 130.24 o
3 5 16 282.23 456.90 188.29 o
0 6 16 173.12 71.95 139.31 o