#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/55/2015570.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_2015570_Fobs
loop_
_publ_author_name
'Lu, Shao-Fang'
'Huang, Zi-Xiang'
'Huang, Jin-Ling'
_publ_section_title
;
 Meta-barium borate, II-BaB~2~O~4~, at 163 and 293K
;
_journal_coeditor_code           IZ3008
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              i73
_journal_page_last               i75
_journal_volume                  62
_journal_year                    2006
_space_group_IT_number           161
_symmetry_space_group_name_Hall  'R 3 -2"c'
_symmetry_space_group_name_H-M   'R 3 c :H'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   12.5310
_cell_length_b                   12.5310
_cell_length_c                   12.7210
_exptl_crystal_F_000             1764.00
_reflns_d_resolution_high        0.7702
_[local]_cod_data_source_file    iz3008BBO_293Ksup2.hkl
_[local]_cod_data_source_block   BBO_293K
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' 1 in R3c'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            474.71
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-y, -x, z+1/2'
'-x+y, y, z+1/2'
'x, x-y, z+1/2'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'-y+2/3, -x+1/3, z+5/6'
'-x+y+2/3, y+1/3, z+5/6'
'x+2/3, x-y+1/3, z+5/6'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-y+1/3, -x+2/3, z+7/6'
'-x+y+1/3, y+2/3, z+7/6'
'x+1/3, x-y+2/3, z+7/6'
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
-8 9 -11 9961.38 10268.33 635.94 o
-7 9 -10 25365.06 26077.70 936.58 o
-9 10 -10 34652.69 35736.40 917.89 o
-11 11 -10 91813.36 98056.94 2813.26 o
-10 12 -10 19186.03 19500.68 1126.54 o
-6 9 -9 3104.07 2761.13 384.35 o
-8 10 -9 26425.23 26062.23 1235.66 o
-10 11 -9 5271.52 5330.82 366.08 o
-9 12 -9 3285.76 3177.95 452.61 o
-2 6 -8 22805.54 23499.68 492.59 o
-4 7 -8 39881.70 41494.77 896.37 o
-6 8 -8 35575.67 34587.07 952.48 o
-8 9 -8 4544.41 4999.86 417.26 o
-5 9 -8 4514.90 4323.27 344.59 o
-10 10 -8 9767.34 9856.81 736.01 o
-7 10 -8 8303.82 8579.62 497.45 o
-9 11 -8 14780.96 15777.02 609.09 o
-11 12 -8 1369.60 1408.33 216.06 o
-10 13 -8 4395.42 4095.87 332.45 o
-9 14 -8 22525.34 22673.33 1277.41 o
-1 6 -7 41859.04 41637.46 544.27 o
-3 7 -7 29293.47 30130.16 664.00 o
-5 8 -7 2679.44 2450.56 332.44 o
-7 9 -7 113740.77 115434.41 1981.61 o
-4 9 -7 53482.21 54359.22 1029.35 o
-9 10 -7 100238.12 105520.96 2544.99 o
-6 10 -7 51264.21 52286.16 1197.89 o
-8 11 -7 1918.11 1738.63 252.70 o
-10 12 -7 98628.66 100694.77 2673.00 o
-12 13 -7 82163.66 85109.30 1841.29 o
-9 13 -7 84344.23 87049.72 2692.22 o
-8 14 -7 1343.35 1478.64 372.20 o
-5 7 -6 37048.03 36864.23 839.83 o
-2 7 -6 27631.76 28974.46 539.86 o
-7 8 -6 21571.54 23242.56 993.12 o
-4 8 -6 45880.01 46092.38 916.92 o
-9 9 -6 50695.88 51068.83 1607.64 o
-6 9 -6 68889.02 69486.92 1633.27 o
-3 9 -6 75313.20 76834.41 1333.74 o
-8 10 -6 1291.78 1389.23 175.92 o
-5 10 -6 4501.68 4432.39 432.50 o
-10 11 -6 4671.71 4742.14 357.21 o
-7 11 -6 18421.02 18194.11 703.54 o
-12 12 -6 930.99 1073.53 299.09 o
-9 12 -6 4596.72 4701.95 338.27 o
-11 13 -6 1535.94 1431.49 273.43 o
-8 13 -6 4654.32 4558.57 317.58 o
-10 14 -6 10118.08 9815.47 499.25 o
-9 15 -6 330.14 320.51 231.94 o
-4 7 -5 35053.01 34811.05 733.36 o
-6 8 -5 15505.65 15336.00 724.30 o
-3 8 -5 4766.59 5103.90 314.55 o
-8 9 -5 16709.35 16878.26 600.39 o
-5 9 -5 92434.92 92060.20 1515.75 o
-7 10 -5 26626.18 27082.97 869.65 o
-4 10 -5 103761.03 103889.99 1624.21 o
-9 11 -5 3525.06 3540.79 271.92 o
-6 11 -5 1310.91 1598.14 213.60 o
-11 12 -5 6340.19 6698.47 390.47 o
-8 12 -5 37087.71 37831.38 2053.73 o
-10 13 -5 11427.09 11228.12 505.71 o
-7 13 -5 44849.50 44640.95 1080.55 o
-12 14 -5 3050.21 3350.90 376.18 o
-9 14 -5 3192.96 2826.68 361.16 o
-8 15 -5 27984.88 26871.80 1368.20 o
-1 3 -4 3693.86 4372.75 191.73 o
0 4 -4 23809.37 24893.69 206.56 o
-1 6 -4 21849.56 24197.92 772.68 o
-6 7 -4 30525.55 30952.31 809.34 o
-3 7 -4 19271.61 19551.70 651.19 o
0 7 -4 47765.70 48293.34 710.61 o
-8 8 -4 166295.91 163817.64 2470.66 o
-5 8 -4 127076.41 123313.80 1639.89 o
-2 8 -4 36480.29 37959.19 734.24 o
-7 9 -4 73668.36 75480.73 2722.59 o
-4 9 -4 15199.76 15857.75 735.12 o
-1 9 -4 4093.46 4054.45 359.61 o
-9 10 -4 59709.61 59996.30 1858.13 o
-6 10 -4 61189.60 63261.33 1312.09 o
-3 10 -4 56009.45 55468.98 1144.21 o
-11 11 -4 184087.69 180140.16 3244.22 o
-8 11 -4 142162.78 140052.88 3174.97 o
-5 11 -4 75524.19 76816.09 1690.92 o
-10 12 -4 34642.47 34355.43 1599.14 o
-7 12 -4 20744.08 21039.43 619.82 o
-12 13 -4 30190.58 30712.13 951.88 o
-9 13 -4 26541.42 26653.94 782.11 o
-6 13 -4 15889.40 14766.10 662.67 o
-11 14 -4 129866.02 129933.60 3937.71 o
-8 14 -4 91365.65 90952.78 1593.86 o
-10 15 -4 23729.51 24157.82 926.10 o
-7 15 -4 12536.01 11976.03 874.51 o
-3 6 -3 9393.54 10044.68 237.52 o
-7 8 -3 70341.02 70784.56 1182.65 o
-4 8 -3 68467.59 68765.22 697.95 o
-1 8 -3 86642.91 86248.45 2196.54 o
-6 9 -3 5929.48 6299.02 240.69 o
-3 9 -3 1785.33 1910.90 171.35 o
-8 10 -3 41789.05 42181.68 877.71 o
-5 10 -3 46140.39 47321.55 673.16 o
-2 10 -3 40542.29 40019.00 970.59 o
-10 11 -3 11227.40 10854.47 470.12 o
-7 11 -3 20501.06 20241.87 693.29 o
-4 11 -3 11199.25 10624.62 578.51 o
-9 12 -3 5221.56 5162.71 322.20 o
-6 12 -3 12488.19 12698.63 469.29 o
-11 13 -3 3647.72 3532.43 299.01 o
-8 13 -3 19041.53 18981.71 775.86 o
-5 13 -3 16595.34 16163.46 848.22 o
-13 14 -3 3926.44 3790.84 342.64 o
-10 14 -3 2386.83 2171.25 302.33 o
-7 14 -3 3809.32 3668.67 302.87 o
-12 15 -3 3664.07 3592.15 353.16 o
-9 15 -3 26405.43 26025.48 879.34 o
-6 15 -3 22283.86 20893.39 1146.86 o
-8 16 -3 1746.83 1842.23 374.19 o
-1 1 -2 12968.96 13850.07 332.66 o
-2 3 -2 1979.07 2149.27 204.54 o
-1 4 -2 33822.46 34735.45 313.31 o
-5 6 -2 3739.71 3779.30 173.83 o
-2 6 -2 18020.92 18724.78 753.46 o
-7 7 -2 57968.57 60085.16 1264.60 o
-4 7 -2 41977.55 42034.20 573.54 o
-1 7 -2 44154.65 45771.04 1135.71 o
-6 8 -2 55981.69 55353.76 614.76 o
-3 8 -2 126222.12 125334.50 1603.22 o
-8 9 -2 5440.15 5355.50 278.41 o
-5 9 -2 9396.38 9369.13 344.60 o
-2 9 -2 49873.88 50744.98 1587.21 o
-10 10 -2 13973.77 14250.77 721.43 o
-7 10 -2 38860.87 38101.48 870.32 o
-4 10 -2 41494.45 41992.57 993.46 o
-1 10 -2 61213.20 60880.27 903.33 o
-9 11 -2 27416.46 26826.26 588.93 o
-6 11 -2 87597.78 85543.48 984.59 o
-3 11 -2 171907.78 176752.13 2633.24 o
-11 12 -2 890.40 738.24 163.57 o
-8 12 -2 9265.35 9019.79 307.46 o
-5 12 -2 17215.31 16885.09 530.40 o
-13 13 -2 5334.66 5232.46 565.92 o
-10 13 -2 3091.09 3109.13 285.85 o
-7 13 -2 23037.40 22542.90 698.90 o
-4 13 -2 39435.91 38673.77 1211.36 o
-12 14 -2 2007.28 1923.44 254.05 o
-9 14 -2 37812.36 38601.25 1035.22 o
-6 14 -2 96042.36 92598.15 1612.61 o
-11 15 -2 11065.51 10556.63 579.04 o
-8 15 -2 25326.86 25146.08 847.50 o
-5 15 -2 26586.19 25512.66 1257.75 o
-7 16 -2 8951.68 8704.42 765.17 o
-1 3 -1 18456.16 18808.86 317.35 o
-3 4 -1 56384.16 56956.68 802.94 o
-2 5 -1 15534.14 16584.70 525.50 o
-1 6 -1 78995.70 78105.64 1139.35 o
-6 7 -1 102589.48 101444.75 751.56 o
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-5 8 -1 6758.04 7041.20 239.51 o
-2 8 -1 13028.71 13667.31 527.49 o
-7 9 -1 178335.63 174916.03 1804.65 o
-4 9 -1 97984.52 98091.27 1877.02 o
-1 9 -1 19945.34 19883.38 617.86 o
-9 10 -1 142894.09 143203.23 2338.32 o
-6 10 -1 117548.90 114411.16 1911.63 o
-3 10 -1 27655.82 27969.18 802.50 o
-8 11 -1 2748.84 2641.21 229.56 o
-5 11 -1 5674.50 5662.56 273.95 o
-2 11 -1 21392.82 21522.98 545.14 o
-10 12 -1 126594.73 125348.66 1428.39 o
-7 12 -1 96171.82 94755.02 1120.31 o
-4 12 -1 31868.47 31783.00 779.31 o
-12 13 -1 117792.57 114018.78 1940.91 o
-9 13 -1 113516.02 112715.88 1376.45 o
-6 13 -1 69730.48 71174.35 1438.59 o
-3 13 -1 13048.33 12420.73 504.91 o
-11 14 -1 769.24 833.91 171.94 o
-8 14 -1 2742.03 2679.56 267.61 o
-5 14 -1 2096.09 2035.03 230.84 o
-2 14 -1 1809.42 1629.95 317.20 o
-10 15 -1 69128.39 67938.71 1569.38 o
-7 15 -1 39986.95 38674.02 1368.31 o
-4 15 -1 5883.97 5175.47 547.15 o
-9 16 -1 52227.51 50353.11 2441.95 o
-6 16 -1 13658.78 13975.31 925.09 o
-5 7 0 71432.09 73260.80 1339.30 o
-2 7 0 74069.24 73709.80 1573.51 o
-7 8 0 24304.09 25271.75 424.64 o
-4 8 0 77068.03 78932.05 1194.14 o
-1 8 0 22983.62 23679.80 904.00 o
-9 9 0 65620.72 65403.29 1072.46 o
-6 9 0 139428.33 141158.41 3251.02 o
-3 9 0 138724.80 128404.00 1840.68 o
0 9 0 63448.76 60855.18 1430.27 o
-8 10 0 128.69 276.72 152.15 o
-5 10 0 395.15 430.86 179.12 o
-2 10 0 38.89 169.24 195.35 o
-10 11 0 8211.04 8103.04 296.00 o
-7 11 0 19207.57 18241.18 533.31 o
-4 11 0 18520.13 18112.87 508.73 o
-1 11 0 7973.06 7586.80 361.86 o
-12 12 0 1248.92 1432.86 204.16 o
-9 12 0 5581.52 5604.94 320.83 o
-6 12 0 10035.04 10172.70 380.31 o
-3 12 0 6345.19 6582.15 281.11 o
-11 13 0 1392.14 1368.25 178.55 o
-8 13 0 3440.21 3393.71 239.78 o
-5 13 0 3533.05 3418.82 295.61 o
-2 13 0 1590.21 1514.78 199.53 o
-13 14 0 1954.66 2145.06 227.56 o
-10 14 0 13301.66 13035.79 564.64 o
-7 14 0 20972.00 20283.07 712.48 o
-4 14 0 13369.80 12836.69 530.06 o
-1 14 0 2308.33 2285.56 366.24 o
-12 15 0 4254.17 4306.74 373.09 o
-9 15 0 1314.58 1399.13 227.85 o
-6 15 0 1211.53 1254.40 207.65 o
-3 15 0 4352.19 4053.79 446.42 o
-8 16 0 15749.92 15701.70 706.70 o
-2 3 1 17904.26 17718.80 223.48 o
-1 4 1 59145.03 59341.82 544.56 o
-3 5 1 13506.13 14487.71 266.57 o
-5 6 1 81535.03 83580.34 650.06 o
-4 7 1 38285.78 39449.26 449.27 o
-1 7 1 106047.02 103078.70 1760.06 o
-6 8 1 13112.70 13349.73 318.87 o
-3 8 1 7132.88 7184.71 257.70 o
-8 9 1 21669.85 21788.97 520.49 o
-5 9 1 99747.16 98394.70 1249.45 o
-2 9 1 173686.66 166858.58 2850.30 o
-7 10 1 24632.73 24203.60 454.23 o
-4 10 1 121470.71 117494.68 1621.23 o
-1 10 1 144282.53 139973.20 1752.51 o
-9 11 1 20657.00 20068.23 483.80 o
-6 11 1 5018.69 5028.82 282.32 o
-3 11 1 3050.48 3145.08 246.71 o
-11 12 1 7484.16 7331.01 303.28 o
-8 12 1 32791.29 33791.61 672.07 o
-5 12 1 93318.25 93064.59 1395.12 o
-2 12 1 125542.51 124324.89 2139.05 o
-10 13 1 13577.17 13552.30 446.03 o
-7 13 1 68710.09 67321.27 1135.54 o
-4 13 1 115848.41 112255.57 1373.03 o
-1 13 1 116723.55 113325.13 2371.48 o
-12 14 1 1947.16 2005.24 204.23 o
-9 14 1 2155.18 2141.25 194.77 o
-6 14 1 2811.96 2679.23 288.72 o
-3 14 1 728.85 961.35 176.68 o
-11 15 1 5774.70 5325.22 405.71 o
-8 15 1 39352.61 39753.26 1106.29 o
-5 15 1 71273.27 69502.07 1531.43 o
-10 16 1 13855.27 13143.03 730.33 o
-7 16 1 52465.24 52199.26 1363.20 o
0 1 2 13000.93 13313.10 214.55 o
-2 2 2 24079.00 25624.85 414.28 o
-1 3 2 1896.80 2298.07 92.42 o
-3 4 2 33479.94 34698.04 444.51 o
0 4 2 57776.80 56375.51 1062.93 o
-2 5 2 61429.39 59644.76 1056.07 o
-4 6 2 19008.75 19756.54 351.84 o
-1 6 2 4228.43 4343.82 233.08 o
-6 7 2 43232.76 42842.33 741.66 o
-3 7 2 43336.16 43975.99 527.60 o
0 7 2 57831.59 57592.62 1344.78 o
-8 8 2 225350.94 215719.28 5097.72 o
-5 8 2 124938.47 123307.42 955.02 o
-2 8 2 55967.18 57503.23 1284.24 o
-7 9 2 49468.88 49908.21 1018.11 o
-4 9 2 9870.13 10286.12 350.83 o
-1 9 2 5881.24 5836.90 290.64 o
-9 10 2 58158.93 58775.66 777.58 o
-6 10 2 44001.19 43431.75 646.22 o
-3 10 2 39247.51 39825.24 701.19 o
0 10 2 12363.00 12394.27 451.22 o
-11 11 2 197278.39 196701.16 2239.09 o
-8 11 2 171995.28 172677.50 1991.94 o
-5 11 2 82752.48 82167.06 1031.45 o
-2 11 2 28799.30 28710.66 617.40 o
-10 12 2 52846.36 54058.02 894.55 o
-7 12 2 18451.92 18289.12 485.06 o
-4 12 2 10138.68 9930.79 390.48 o
-1 12 2 944.15 1035.63 120.99 o
-12 13 2 37616.73 37620.15 763.56 o
-9 13 2 40376.51 40936.27 857.83 o
-6 13 2 22823.26 22365.39 603.20 o
-3 13 2 3083.16 3067.06 230.19 o
0 13 2 5637.64 5630.63 362.97 o
-11 14 2 137951.41 137661.31 1645.89 o
-8 14 2 96667.27 99079.31 1416.95 o
-5 14 2 36602.34 36529.61 777.10 o
-2 14 2 2293.90 1956.51 248.70 o
-10 15 2 27647.54 27292.88 739.73 o
-7 15 2 24219.02 24806.71 876.79 o
-4 15 2 11264.04 11122.67 553.57 o
-9 16 2 8488.47 8563.01 543.05 o
-3 6 3 9297.89 10016.05 257.53 o
-5 7 3 131305.83 127261.44 1110.23 o
-2 7 3 123296.18 120994.99 899.21 o
-7 8 3 88247.09 88921.48 1538.57 o
-4 8 3 66757.13 67623.38 751.06 o
-1 8 3 70061.41 70038.58 793.66 o
-6 9 3 2261.53 2206.59 185.07 o
-3 9 3 5577.12 5629.80 297.55 o
-8 10 3 37015.17 37555.21 646.03 o
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-2 10 3 46690.97 47155.39 597.54 o
-10 11 3 6731.29 6672.97 304.49 o
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-4 11 3 19085.41 19252.87 574.80 o
-1 11 3 10383.57 10388.41 300.59 o
-9 12 3 4799.51 4738.93 243.10 o
-6 12 3 12329.44 12375.19 423.95 o
-3 12 3 4546.94 4545.35 266.70 o
-11 13 3 3707.52 3693.36 234.10 o
-8 13 3 16301.68 16154.01 539.72 o
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-13 14 3 1967.22 1956.19 214.96 o
-10 14 3 2174.48 2211.76 193.41 o
-7 14 3 3906.84 3661.78 300.78 o
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-12 15 3 9182.68 9029.67 399.46 o
-9 15 3 21677.86 21219.23 665.60 o
-6 15 3 26761.71 25978.85 724.67 o
-3 15 3 3824.48 3782.96 342.03 o
-8 16 3 1434.79 1504.93 342.38 o
0 2 4 19357.58 21098.98 370.02 o
-2 3 4 3892.31 4297.38 112.19 o
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-3 5 4 74466.81 75405.87 750.47 o
0 5 4 168880.78 158184.92 2298.59 o
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-2 6 4 10418.94 10702.25 199.26 o
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-4 7 4 19236.14 18763.84 402.51 o
-1 7 4 30281.07 29838.50 351.51 o
-6 8 4 36121.30 35089.79 523.48 o
-3 8 4 129166.53 128467.14 1983.43 o
0 8 4 164682.95 161130.89 3690.09 o
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-5 9 4 15399.37 15311.72 421.88 o
-2 9 4 74063.20 75209.14 966.46 o
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-4 10 4 61668.79 64027.44 793.56 o
-1 10 4 59024.16 59152.55 698.12 o
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-6 11 4 76052.10 75703.91 978.43 o
-3 11 4 139692.67 139166.08 1554.74 o
0 11 4 182847.02 179676.22 2220.77 o
-11 12 4 53.38 128.86 118.23 o
-8 12 4 6902.54 6899.00 313.24 o
-5 12 4 20823.13 21243.04 549.35 o
-2 12 4 36501.62 36630.45 746.26 o
-13 13 4 2722.02 3097.50 338.00 o
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-1 13 4 29808.19 29786.10 965.09 o
-12 14 4 5044.32 5117.73 310.03 o
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-6 14 4 91685.12 90945.51 1361.47 o
-3 14 4 130162.86 129815.48 1941.83 o
-11 15 4 8380.84 8164.46 372.76 o
-8 15 4 12963.68 12602.09 506.67 o
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-3 4 5 38255.12 38116.56 387.12 o
-2 5 5 16778.46 16885.75 205.00 o
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