#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/84/2208446.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_2208446_Fobs
loop_
_publ_author_name
'Kouass, Salah'
'Bouzemi, Besma'
'Boughzala, Habib'
_publ_section_title
;
 Garnet-type Li~2.44~K~0.56~Cr~2~(AsO~4~)~3~
;
_journal_coeditor_code           WM6132
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i50
_journal_page_last               i51
_journal_volume                  62
_journal_year                    2006
_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                   11.9480
_cell_length_b                   11.9480
_cell_length_c                   11.9480
_exptl_crystal_F_000             2088.00
_reflns_d_resolution_high        0.7844
_[local]_cod_data_source_file    wm6132Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title
' BZ24  Li-K-Cr-As-O  in I a-3 d   Li(x)K(3-x)Cr2(AsO4)3   x=2,437'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            684.03
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'y, z, x'
'z, x, y'
'x+1/2, y, -z+1/2'
'y+1/2, z, -x+1/2'
'z+1/2, x, -y+1/2'
'y+1/2, -z+1/2, -x'
'z+1/2, -x+1/2, -y'
'-z, x+1/2, -y+1/2'
'-x, y+1/2, -z+1/2'
'-y, z+1/2, -x+1/2'
'x+1/2, -y+1/2, -z'
'y+1/4, x+1/4, z+1/4'
'z+1/4, y+1/4, x+1/4'
'x+1/4, z+1/4, y+1/4'
'y+1/4, x+3/4, -z+3/4'
'z+1/4, y+3/4, -x+3/4'
'x+1/4, z+3/4, -y+3/4'
'-z+3/4, y+3/4, -x+1/4'
'-x+3/4, z+3/4, -y+1/4'
'x+3/4, -z+1/4, -y+3/4'
'y+3/4, -x+1/4, -z+3/4'
'z+3/4, -y+1/4, -x+3/4'
'-y+3/4, x+3/4, -z+1/4'
'x+1/2, y+1/2, z+1/2'
'y+1/2, z+1/2, x+1/2'
'z+1/2, x+1/2, y+1/2'
'x+1, y+1/2, -z+1'
'y+1, z+1/2, -x+1'
'z+1, x+1/2, -y+1'
'y+1, -z+1, -x+1/2'
'z+1, -x+1, -y+1/2'
'-z+1/2, x+1, -y+1'
'-x+1/2, y+1, -z+1'
'-y+1/2, z+1, -x+1'
'x+1, -y+1, -z+1/2'
'y+3/4, x+3/4, z+3/4'
'z+3/4, y+3/4, x+3/4'
'x+3/4, z+3/4, y+3/4'
'y+3/4, x+5/4, -z+5/4'
'z+3/4, y+5/4, -x+5/4'
'x+3/4, z+5/4, -y+5/4'
'-z+5/4, y+5/4, -x+3/4'
'-x+5/4, z+5/4, -y+3/4'
'x+5/4, -z+3/4, -y+5/4'
'y+5/4, -x+3/4, -z+5/4'
'z+5/4, -y+3/4, -x+5/4'
'-y+5/4, x+5/4, -z+3/4'
'-x, -y, -z'
'-y, -z, -x'
'-z, -x, -y'
'-x-1/2, -y, z-1/2'
'-y-1/2, -z, x-1/2'
'-z-1/2, -x, y-1/2'
'-y-1/2, z-1/2, x'
'-z-1/2, x-1/2, y'
'z, -x-1/2, y-1/2'
'x, -y-1/2, z-1/2'
'y, -z-1/2, x-1/2'
'-x-1/2, y-1/2, z'
'-y-1/4, -x-1/4, -z-1/4'
'-z-1/4, -y-1/4, -x-1/4'
'-x-1/4, -z-1/4, -y-1/4'
'-y-1/4, -x-3/4, z-3/4'
'-z-1/4, -y-3/4, x-3/4'
'-x-1/4, -z-3/4, y-3/4'
'z-3/4, -y-3/4, x-1/4'
'x-3/4, -z-3/4, y-1/4'
'-x-3/4, z-1/4, y-3/4'
'-y-3/4, x-1/4, z-3/4'
'-z-3/4, y-1/4, x-3/4'
'y-3/4, -x-3/4, z-1/4'
'-x+1/2, -y+1/2, -z+1/2'
'-y+1/2, -z+1/2, -x+1/2'
'-z+1/2, -x+1/2, -y+1/2'
'-x, -y+1/2, z'
'-y, -z+1/2, x'
'-z, -x+1/2, y'
'-y, z, x+1/2'
'-z, x, y+1/2'
'z+1/2, -x, y'
'x+1/2, -y, z'
'y+1/2, -z, x'
'-x, y, z+1/2'
'-y+1/4, -x+1/4, -z+1/4'
'-z+1/4, -y+1/4, -x+1/4'
'-x+1/4, -z+1/4, -y+1/4'
'-y+1/4, -x-1/4, z-1/4'
'-z+1/4, -y-1/4, x-1/4'
'-x+1/4, -z-1/4, y-1/4'
'z-1/4, -y-1/4, x+1/4'
'x-1/4, -z-1/4, y+1/4'
'-x-1/4, z+1/4, y-1/4'
'-y-1/4, x+1/4, z-1/4'
'-z-1/4, y+1/4, x-1/4'
'y-1/4, -x-1/4, z+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 55011.22 57992.29 5642.57 o
0 2 2 10226.25 11293.76 767.95 o
1 2 3 47686.20 50177.25 4213.15 o
2 3 3 112329.05 119707.23 12743.80 o
0 0 4 352639.22 396092.31 54953.90 o
0 2 4 211908.22 220438.23 12553.47 o
2 2 4 144735.70 128508.62 10882.03 o
1 3 4 13049.67 14501.80 953.17 o
0 4 4 950.08 1394.14 80.88 o
4 4 4 176260.14 172909.73 1426.41 o
1 2 5 6939.55 7428.31 307.35 o
2 3 5 6616.10 6636.68 467.99 o
1 4 5 323.67 444.61 46.00 o
3 4 5 964.03 988.34 50.45 o
2 5 5 12819.93 13387.72 1981.87 o
1 1 6 477.26 495.66 82.88 o
0 2 6 22201.46 23268.67 1509.67 o
1 3 6 38820.68 41487.82 1959.78 o
3 3 6 19770.24 19163.46 1676.17 o
0 4 6 199780.34 214606.14 8754.04 o
2 4 6 219543.91 225023.22 18979.12 o
1 5 6 19854.70 20705.43 1260.30 o
3 5 6 43322.32 43231.90 3647.06 o
5 5 6 13083.48 12665.33 463.97 o
0 6 6 586.05 621.31 109.00 o
4 6 6 125385.77 119460.88 12074.61 o
1 2 7 27778.71 27895.91 1907.00 o
2 3 7 38017.31 38560.42 2452.31 o
1 4 7 4011.58 4026.18 192.33 o
3 4 7 1241.96 1125.65 105.66 o
2 5 7 37358.20 37090.28 3038.23 o
4 5 7 4685.94 4627.87 332.81 o
1 6 7 44015.52 44026.91 2491.30 o
3 6 7 18749.67 18271.22 1426.54 o
5 6 7 7793.52 7719.15 288.14 o
2 7 7 10181.06 9621.65 1295.49 o
6 7 7 26148.67 25378.60 1376.32 o
0 0 8 467902.91 498500.06 79163.55 o
0 2 8 1855.10 1787.73 134.68 o
2 2 8 5349.29 4725.29 784.67 o
1 3 8 147.45 266.39 102.95 o
0 4 8 153856.59 158619.81 9505.32 o
2 4 8 105208.49 104676.87 6715.89 o
4 4 8 4372.77 3634.08 366.96 o
1 5 8 4205.03 4373.12 151.44 o
3 5 8 8009.57 7611.90 583.21 o
0 6 8 27.99 293.51 119.42 o
2 6 8 75.62 293.69 106.53 o
4 6 8 76064.90 70908.65 4899.10 o
6 6 8 287.49 364.72 230.03 o
1 7 8 211.04 279.03 131.40 o
3 7 8 1710.11 1581.89 142.00 o
5 7 8 549.38 1116.91 403.48 o
0 8 8 340915.16 375092.75 10018.22 o
4 8 8 73803.95 66754.38 8818.31 o
8 8 8 228950.02 231979.73 2546.69 o
1 2 9 19545.88 18850.80 1843.14 o
2 3 9 13289.75 13421.80 901.68 o
1 4 9 7187.54 6826.19 395.43 o
3 4 9 1880.06 1813.26 180.90 o
2 5 9 20268.22 20061.20 1166.15 o
4 5 9 136.23 329.59 113.19 o
1 6 9 12684.32 13200.35 522.87 o
3 6 9 10578.28 10512.56 665.39 o
5 6 9 12018.16 11733.94 576.81 o
2 7 9 19170.80 19360.33 1166.47 o
4 7 9 529.23 477.84 154.27 o
6 7 9 4125.32 3844.58 183.47 o
1 8 9 1697.11 1777.26 120.01 o
3 8 9 257.64 218.92 154.23 o
5 8 9 797.26 556.44 173.71 o
7 8 9 118.74 377.42 180.54 o
2 9 9 6142.12 5881.15 340.69 o
6 9 9 27788.78 26623.65 1762.10 o
1 1 10 31939.30 31324.60 5200.09 o
0 2 10 5830.56 5057.65 461.11 o
1 3 10 16339.39 16800.19 1207.68 o
3 3 10 11199.75 10993.70 2212.22 o
0 4 10 95559.37 95588.68 6375.10 o
2 4 10 109215.83 111830.16 5145.36 o
1 5 10 10538.45 10868.68 446.82 o
3 5 10 10600.44 10031.99 781.13 o
5 5 10 13350.91 12419.84 1331.42 o
0 6 10 485.55 538.16 102.26 o
2 6 10 954.60 1031.08 135.92 o
4 6 10 67318.48 65565.66 4560.15 o
1 7 10 7538.94 8112.04 274.03 o
3 7 10 10592.00 10467.12 738.93 o
5 7 10 13111.26 12154.90 667.35 o
7 7 10 10948.96 10826.56 827.09 o
0 8 10 126.64 110.93 128.55 o
2 8 10 1021.26 913.94 124.21 o
4 8 10 64111.88 62086.04 4569.76 o
6 8 10 1431.78 1108.15 151.64 o
1 9 10 10683.30 10910.77 269.76 o
3 9 10 13127.42 12673.07 681.97 o
5 9 10 12908.32 12156.54 612.75 o
7 9 10 8877.97 8645.44 403.23 o
0 10 10 17262.53 17980.92 473.27 o
4 10 10 59913.30 57297.22 5696.89 o
1 2 11 13432.45 12320.90 1420.72 o
2 3 11 15403.29 14664.32 1338.64 o
1 4 11 2028.69 2032.92 152.57 o
3 4 11 63.11 85.53 149.37 o
2 5 11 19193.21 19212.05 626.71 o
4 5 11 9.84 98.77 153.51 o
1 6 11 14590.63 15032.28 644.08 o
3 6 11 2789.17 2958.04 139.75 o
5 6 11 10212.00 10468.23 640.70 o
2 7 11 8242.32 8385.37 426.44 o
4 7 11 2875.92 2736.69 207.79 o
6 7 11 9497.70 9167.48 403.59 o
1 8 11 614.31 707.96 160.35 o
3 8 11 542.97 506.55 182.38 o
5 8 11 1396.39 1297.17 143.17 o
2 9 11 8517.47 8651.15 320.34 o
4 9 11 243.17 214.59 183.01 o
1 10 11 8822.88 8707.62 283.60 o
3 10 11 11900.90 11781.13 611.62 o
0 0 12 43890.79 43854.50 8276.49 o
0 2 12 67814.79 63235.35 6953.05 o
2 2 12 111119.63 99679.44 18134.94 o
1 3 12 1200.79 1140.19 166.44 o
0 4 12 2277.80 2746.02 264.13 o
2 4 12 21.93 321.13 157.03 o
4 4 12 32703.04 31992.24 550.09 o
1 5 12 3.05 161.29 161.13 o
3 5 12 1107.82 813.73 161.85 o
0 6 12 46330.00 44675.24 2519.63 o
2 6 12 47872.25 48107.70 1475.75 o
4 6 12 175.03 266.59 182.75 o
6 6 12 53232.00 50338.14 4186.86 o
1 7 12 62.92 160.13 178.83 o
3 7 12 1632.80 1672.45 126.75 o
5 7 12 0.38 234.73 196.75 o
0 8 12 54352.69 56819.16 1413.96 o
2 8 12 46627.21 46965.91 1546.09 o
4 8 12 47.11 567.21 195.00 o
1 9 12 211.10 340.18 206.50 o
1 2 13 17773.96 16065.47 1835.87 o
2 3 13 8180.07 6979.77 674.54 o
1 4 13 10.69 251.34 172.43 o
3 4 13 220.16 178.46 187.67 o
2 5 13 22721.28 22521.96 1228.01 o
4 5 13 508.53 427.55 173.02 o
1 6 13 13589.29 13192.07 884.57 o
3 6 13 12583.73 12648.80 448.23 o
5 6 13 5275.27 5243.14 397.37 o
2 7 13 4975.73 5333.85 213.67 o
1 1 14 12610.58 11558.59 1928.61 o
0 2 14 1215.41 1072.04 142.51 o
1 3 14 4747.37 4430.97 455.98 o
3 3 14 8704.98 7011.60 1179.52 o
0 4 14 41493.74 40764.83 2975.87 o
2 4 14 70151.66 67516.32 5432.09 o
1 5 14 14675.08 14635.84 918.47 o
3 5 14 6033.95 6356.50 484.26 o
0 6 14 33.50 315.24 207.67 o
1 2 15 4917.15 4451.91 605.41 o