#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/77/2017774.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_2017774_Fobs
loop_
_publ_author_name
'Chitra, R.'
'Choudhury, R. R.'
_publ_section_title
;
 Single-crystal neutron diffraction investigation on crystals belonging to
 the langasite family: a comparative study
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              497
_journal_page_last               502
_journal_volume                  66
_journal_year                    2010
_space_group_IT_number           150
_symmetry_space_group_name_Hall  'P 3 2"'
_symmetry_space_group_name_H-M   'P 3 2 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   8.2560
_cell_length_b                   8.2560
_cell_length_c                   5.1410
_exptl_crystal_F_000             149.70
_reflns_d_resolution_high        0.7150
_[local]_cod_data_source_file    bp5031LGZrTsup4.hkl
_[local]_cod_data_source_block   LGZrT
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' lazr '
_shelx_refln_list_code           4
_shelx_f_calc_maximum            92.50
_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'
'x-y, -y, -z'
'-x, -x+y, -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
0 1 0 40.77 26.97 3.98 o
-1 2 0 244.64 241.49 14.16 o
0 2 0 13.57 14.75 2.03 o
-1 3 0 383.20 381.73 16.21 o
0 3 0 369.39 365.29 14.45 o
-2 4 0 620.14 597.64 20.85 o
-1 4 0 1530.76 1434.25 43.97 o
0 4 0 84.99 85.32 4.56 o
-2 5 0 177.20 163.94 6.99 o
-1 5 0 2985.59 2759.81 70.31 o
0 5 0 60.08 84.10 4.76 o
-3 6 0 2808.03 2539.78 61.06 o
-2 6 0 153.22 162.80 6.97 o
-1 6 0 1165.82 1057.68 28.63 o
0 6 0 423.97 429.03 13.96 o
-3 7 0 123.53 115.44 6.15 o
-2 7 0 1385.85 1317.49 32.99 o
-1 7 0 971.35 924.22 24.62 o
0 7 0 605.90 502.20 15.47 o
-4 8 0 498.21 482.22 14.21 o
-3 8 0 91.58 78.19 5.01 o
-2 8 0 885.04 859.69 21.65 o
-1 8 0 823.63 803.77 20.20 o
0 8 0 1.93 2.44 2.72 o
-4 9 0 931.27 871.03 21.71 o
-3 9 0 271.22 260.12 9.01 o
-2 9 0 125.87 109.83 5.76 o
-1 9 0 121.37 117.26 5.82 o
0 9 0 2711.96 2676.40 52.87 o
-5 10 0 1469.85 1316.72 29.89 o
-4 10 0 583.85 536.09 14.73 o
-3 10 0 297.57 269.96 9.22 o
-2 10 0 649.89 595.05 16.52 o
-1 10 0 96.18 90.61 5.71 o
0 10 0 202.92 221.24 8.28 o
-5 11 0 166.63 134.86 6.43 o
-4 11 0 970.99 899.86 21.72 o
-3 11 0 119.88 99.89 5.70 o
0 0 1 81.69 91.75 7.22 o
-1 1 1 53.67 55.74 4.28 o
0 1 1 21.49 22.12 2.40 o
-2 2 1 1179.26 1132.60 45.08 o
-1 2 1 1074.01 1097.31 45.98 o
0 2 1 1426.39 1424.96 54.91 o
-3 3 1 1080.73 1067.17 35.52 o
-2 3 1 693.60 771.17 27.50 o
-1 3 1 2064.64 2127.32 69.37 o
0 3 1 1061.46 1076.47 34.69 o
-4 4 1 76.03 79.94 4.67 o
-3 4 1 383.21 442.92 15.20 o
-2 4 1 296.98 317.54 11.72 o
-1 4 1 247.68 253.34 9.44 o
0 4 1 0.92 2.98 1.63 o
-5 5 1 295.94 317.99 11.21 o
-4 5 1 537.30 693.29 20.15 o
-3 5 1 987.78 1083.12 30.35 o
-2 5 1 1318.32 1374.63 37.09 o
-1 5 1 534.26 587.95 17.41 o
0 5 1 725.95 716.64 20.20 o
-6 6 1 15.54 12.60 3.82 o
-5 6 1 778.40 787.85 22.20 o
-4 6 1 2387.29 2354.91 55.94 o
-3 6 1 18.61 20.83 2.85 o
-2 6 1 303.16 335.08 11.03 o
-1 6 1 1504.60 1510.95 37.02 o
0 6 1 374.90 326.44 11.42 o
-7 7 1 300.56 333.63 11.30 o
-6 7 1 719.37 749.90 20.25 o
-5 7 1 1274.97 1221.89 30.63 o
-4 7 1 84.49 85.18 5.26 o
-3 7 1 649.40 642.89 18.29 o
-2 7 1 315.50 329.00 10.95 o
-1 7 1 150.90 142.32 6.35 o
0 7 1 857.61 820.84 20.93 o
-8 8 1 5.91 7.46 3.22 o
-7 8 1 695.00 708.41 18.84 o
-6 8 1 384.57 404.84 12.32 o
-5 8 1 117.11 123.48 5.88 o
-4 8 1 1069.28 1024.41 25.25 o
-3 8 1 145.20 165.96 6.58 o
-2 8 1 705.11 761.00 19.17 o
-1 8 1 104.81 112.58 5.39 o
0 8 1 276.22 287.87 9.48 o
-9 9 1 44.44 37.33 4.36 o
-8 9 1 537.54 525.23 15.13 o
-7 9 1 759.47 686.16 18.35 o
-6 9 1 4.36 1.33 2.88 o
-5 9 1 23.97 19.46 3.46 o
-4 9 1 122.24 117.99 5.72 o
-3 9 1 122.10 111.07 5.40 o
-2 9 1 1959.69 1947.20 40.93 o
-1 9 1 14.10 19.16 3.28 o
0 9 1 15.03 14.98 3.26 o
-9 10 1 73.17 67.37 5.26 o
-8 10 1 15.93 18.99 3.60 o
-7 10 1 359.77 336.83 10.88 o
-6 10 1 89.93 81.60 5.14 o
-5 10 1 132.94 133.11 6.12 o
-4 10 1 400.87 397.23 11.80 o
-3 10 1 1110.07 1121.06 25.54 o
-2 10 1 713.29 710.38 17.84 o
-1 10 1 91.32 91.64 5.03 o
-8 11 1 24.06 13.58 3.69 o
-7 11 1 505.45 484.57 13.70 o
-6 11 1 533.10 490.18 13.78 o
-5 11 1 325.72 293.13 9.78 o
-4 11 1 144.49 138.85 6.31 o
-3 11 1 563.55 571.20 15.10 o
0 0 2 0.59 1.18 1.54 o
-1 1 2 876.64 769.78 28.57 o
0 1 2 273.43 272.92 11.60 o
-2 2 2 721.45 691.63 23.81 o
-1 2 2 17.43 17.05 2.22 o
0 2 2 340.08 354.35 13.20 o
-3 3 2 1918.94 1828.68 51.35 o
-2 3 2 1049.45 989.48 30.38 o
-1 3 2 3085.59 2886.45 79.22 o
0 3 2 1712.94 1730.51 47.67 o
-4 4 2 155.56 167.67 7.22 o
-3 4 2 199.06 225.16 8.46 o
-2 4 2 575.62 606.43 18.43 o
-1 4 2 67.85 70.80 3.89 o
0 4 2 3037.12 2858.06 68.45 o
-5 5 2 4707.14 4598.99 101.56 o
-4 5 2 147.18 156.75 6.81 o
-3 5 2 368.03 397.25 12.68 o
-2 5 2 64.95 57.39 3.71 o
-1 5 2 3.58 5.73 2.19 o
0 5 2 204.54 202.22 7.64 o
-6 6 2 3.76 -3.57 3.57 o
-5 6 2 567.87 652.68 18.81 o
-4 6 2 122.09 135.33 6.50 o
-3 6 2 728.87 772.01 21.00 o
-2 6 2 1473.74 1489.74 36.05 o
-1 6 2 528.22 548.68 15.70 o
0 6 2 26.43 21.14 3.22 o
-7 7 2 122.13 131.35 6.56 o
-6 7 2 67.27 77.47 4.84 o
-5 7 2 439.65 517.03 14.84 o
-4 7 2 1.60 0.90 2.91 o
-3 7 2 400.03 451.65 13.48 o
-2 7 2 824.60 945.58 23.28 o
-1 7 2 133.39 142.38 5.97 o
0 7 2 788.56 761.94 19.25 o
-8 8 2 361.75 399.14 12.33 o
-7 8 2 796.12 795.19 20.49 o
-6 8 2 105.33 96.47 5.59 o
-5 8 2 144.94 145.14 6.57 o
-4 8 2 1992.92 2048.50 44.06 o
-3 8 2 33.86 34.01 3.77 o
-2 8 2 334.57 358.12 11.06 o
-1 8 2 406.07 428.48 12.35 o
0 8 2 333.70 330.46 10.53 o
-9 9 2 763.99 824.51 20.38 o
-8 9 2 876.77 907.61 22.22 o
-7 9 2 173.11 180.70 7.34 o
-6 9 2 849.38 851.68 21.04 o
-5 9 2 726.32 703.75 18.29 o
-4 9 2 2507.42 2495.62 50.86 o
-3 9 2 499.46 529.09 14.51 o
-2 9 2 426.40 436.59 12.65 o
-1 9 2 126.54 133.32 6.01 o
0 9 2 449.07 460.56 12.96 o
-9 10 2 363.83 379.40 11.84 o
-8 10 2 51.41 49.55 4.45 o
-7 10 2 164.71 168.22 7.18 o
-6 10 2 330.58 326.96 10.36 o
-5 10 2 363.56 367.05 11.14 o
-4 10 2 411.28 413.94 12.05 o
-3 10 2 123.51 126.25 5.95 o
-2 10 2 25.03 22.42 3.50 o
-1 10 2 984.09 1023.74 23.94 o
-6 11 2 437.60 442.88 12.72 o
-5 11 2 17.43 13.35 3.27 o
0 0 3 85.43 106.19 5.25 o
-1 1 3 2.44 3.52 2.30 o
0 1 3 95.17 102.39 5.09 o
-2 2 3 1956.81 1706.65 46.21 o
-1 2 3 597.06 571.51 18.11 o
0 2 3 1628.40 1523.94 41.25 o
-3 3 3 93.03 82.29 5.11 o
-2 3 3 3801.02 3411.33 81.76 o
-1 3 3 42.16 41.12 3.26 o
0 3 3 2151.54 2064.98 50.90 o
-4 4 3 143.79 150.36 7.09 o
-3 4 3 893.20 905.40 24.51 o
-2 4 3 599.25 573.60 16.92 o
-1 4 3 627.89 645.30 18.22 o
0 4 3 173.25 175.05 7.14 o
-5 5 3 60.83 63.62 5.06 o
-4 5 3 266.89 274.70 10.13 o
-3 5 3 1577.62 1523.73 37.07 o
-2 5 3 1158.68 1173.74 29.32 o
-1 5 3 373.68 339.16 11.50 o
0 5 3 503.64 520.35 15.07 o
-6 6 3 134.17 133.04 6.76 o
-5 6 3 777.58 826.93 21.56 o
-4 6 3 193.54 182.64 7.56 o
-3 6 3 1006.73 1017.87 25.58 o
-2 6 3 2063.85 2174.66 47.31 o
-1 6 3 177.74 185.71 7.15 o
0 6 3 80.81 74.43 4.52 o
-7 7 3 2685.00 2735.86 56.81 o
-6 7 3 602.31 651.55 17.77 o
-5 7 3 508.33 528.04 15.07 o
-4 7 3 740.69 773.02 19.89 o
-3 7 3 143.69 151.76 6.28 o
-2 7 3 339.53 345.37 10.80 o
-1 7 3 1334.84 1418.52 31.51 o
0 7 3 1192.73 1206.99 27.47 o
-8 8 3 396.90 424.06 12.77 o
-7 8 3 536.77 567.17 15.64 o
-6 8 3 907.41 903.43 22.63 o
-5 8 3 216.26 230.38 8.50 o
-4 8 3 1751.50 1860.16 39.84 o
-3 8 3 532.61 553.94 15.03 o
-2 8 3 6.12 9.08 2.81 o
-1 8 3 1661.60 1757.94 36.96 o
0 8 3 45.93 42.09 3.76 o
-9 9 3 5.38 10.88 3.45 o
-8 9 3 170.10 176.36 7.51 o
-7 9 3 1549.89 1597.44 34.57 o
-6 9 3 104.91 106.59 5.61 o
-5 9 3 245.55 253.11 8.86 o
-4 9 3 24.75 20.40 3.36 o
-3 9 3 242.42 246.80 8.73 o
-2 9 3 1308.49 1392.08 30.34 o
-1 9 3 481.33 500.02 13.74 o
0 9 3 94.03 90.88 5.15 o
-7 10 3 869.62 872.33 21.29 o
-6 10 3 558.92 551.90 14.96 o
-5 10 3 177.98 180.44 7.15 o
-4 10 3 498.84 515.02 13.99 o
-3 10 3 186.99 180.17 7.18 o
0 0 4 8555.81 7264.73 155.03 o
-1 1 4 1256.21 1274.96 33.08 o
0 1 4 6.68 0.79 2.90 o
-2 2 4 254.14 247.03 9.87 o
-1 2 4 18.91 19.44 3.51 o
0 2 4 24.65 23.64 3.67 o
-3 3 4 60.14 66.57 5.27 o
-2 3 4 1341.98 1313.68 33.58 o
-1 3 4 143.61 128.20 6.78 o
0 3 4 114.59 112.55 6.02 o
-4 4 4 1239.28 1122.11 28.82 o
-3 4 4 1153.84 1084.37 27.77 o
-2 4 4 105.50 98.00 5.73 o
-1 4 4 375.73 394.85 12.52 o
0 4 4 23.16 24.67 3.47 o
-5 5 4 0.07 4.75 3.21 o
-4 5 4 530.79 479.09 14.45 o
-3 5 4 242.99 256.93 9.12 o
-2 5 4 399.40 421.28 12.66 o
-1 5 4 925.78 1029.91 24.87 o
0 5 4 2437.56 2293.46 49.15 o
-6 6 4 106.64 103.74 6.12 o
-5 6 4 150.08 154.04 7.01 o
-4 6 4 513.87 505.15 14.59 o
-3 6 4 1029.91 1042.13 25.17 o
-2 6 4 62.23 66.09 4.34 o
-1 6 4 446.63 452.00 13.16 o
0 6 4 18.17 20.20 3.33 o
-7 7 4 306.16 324.22 11.17 o
-6 7 4 568.29 607.53 16.65 o
-5 7 4 977.89 999.98 24.38 o
-4 7 4 192.48 182.19 7.48 o
-3 7 4 592.26 555.93 15.49 o
-2 7 4 749.17 772.58 19.38 o
-1 7 4 867.36 867.29 21.07 o
0 7 4 487.31 539.46 14.51 o
-8 8 4 559.50 585.05 16.29 o
-7 8 4 198.56 211.34 8.39 o
-6 8 4 1563.61 1579.79 34.80 o
-5 8 4 154.23 160.81 6.89 o
-4 8 4 130.02 125.05 6.06 o
-3 8 4 45.08 39.88 3.76 o
-2 8 4 263.37 257.44 8.85 o
-1 8 4 334.84 344.13 10.67 o
0 8 4 4.01 3.16 2.83 o
-7 9 4 414.07 430.28 12.66 o
-6 9 4 189.71 200.47 7.71 o
-5 9 4 543.24 536.37 14.91 o
-4 9 4 515.60 559.16 15.09 o
-3 9 4 743.87 796.24 19.50 o
-2 9 4 103.34 93.25 5.40 o
0 0 5 92.83 97.93 5.49 o
-1 1 5 217.94 227.89 8.69 o
0 1 5 37.07 27.96 3.90 o
-2 2 5 0.54 -0.73 2.98 o
-1 2 5 1367.14 1296.33 31.29 o
0 2 5 2930.85 2616.60 56.10 o
-3 3 5 73.59 64.87 5.00 o
-2 3 5 13.81 11.60 3.53 o
-1 3 5 109.89 95.80 5.61 o
0 3 5 886.15 888.63 22.17 o
-4 4 5 43.21 36.79 4.37 o
-3 4 5 1063.09 1096.10 26.63 o
-2 4 5 1242.56 1307.72 30.28 o
-1 4 5 601.79 607.50 16.50 o
0 4 5 133.05 127.36 6.10 o
-5 5 5 355.57 352.44 11.87 o
-4 5 5 700.21 681.68 18.47 o
-3 5 5 1591.62 1611.65 36.19 o
-2 5 5 80.10 79.20 5.07 o
-1 5 5 283.43 275.02 9.47 o
0 5 5 419.19 392.07 11.99 o
-6 6 5 17.92 7.64 3.83 o
-5 6 5 1042.69 1073.73 25.95 o
-4 6 5 702.49 724.28 18.94 o
-3 6 5 495.57 495.80 14.25 o
-2 6 5 229.67 224.11 8.30 o
-1 6 5 1368.89 1422.01 31.14 o
0 6 5 378.56 355.28 10.94 o
-7 7 5 426.31 459.16 14.03 o
-6 7 5 12.73 26.19 3.78 o
-5 7 5 1080.53 1104.18 26.20 o
-4 7 5 564.27 578.31 15.88 o
-3 7 5 350.32 335.89 10.78 o
-2 7 5 789.05 791.44 19.75 o
-1 7 5 263.56 250.10 8.89 o
0 7 5 15.61 20.47 3.31 o
-5 8 5 853.33 930.62 22.49 o
-4 8 5 458.81 454.92 13.27 o
-3 8 5 175.49 180.92 7.22 o
0 0 6 2275.06 2292.63 48.37 o
-1 1 6 1856.49 1898.77 40.95 o
0 1 6 116.10 113.61 6.18 o
-2 2 6 255.97 273.95 9.64 o
-1 2 6 133.35 118.02 6.53 o
0 2 6 118.58 105.08 6.05 o
-3 3 6 1129.74 1179.63 27.65 o
-2 3 6 236.64 227.17 8.67 o
-1 3 6 1622.44 1627.84 35.38 o
0 3 6 1280.97 1275.39 28.74 o
-4 4 6 30.48 26.98 3.95 o
-3 4 6 59.59 56.89 4.63 o
-2 4 6 812.93 836.04 20.62 o
-1 4 6 452.92 429.34 12.55 o
0 4 6 1963.96 2041.95 41.78 o
-5 5 6 2432.51 2586.14 52.41 o
-4 5 6 855.29 866.77 21.52 o
-3 5 6 328.95 336.44 10.69 o
-2 5 6 28.54 22.84 3.60 o
-1 5 6 621.32 620.52 16.18 o
0 5 6 198.07 173.70 7.08 o
-4 6 6 35.49 33.40 4.10 o
-3 6 6 1492.77 1536.43 33.10 o
-2 6 6 1310.62 1435.39 30.97 o
0 0 7 132.97 117.90 6.48 o
-1 1 7 0.04 -3.52 3.52 o
0 1 7 617.84 621.03 16.61 o
-2 2 7 1610.51 1745.74 37.20 o
-1 2 7 196.90 174.60 7.55 o
0 2 7 214.74 207.96 8.01 o