#------------------------------------------------------------------------------
#$Date: 2010-12-22 21:36:50 +0200 (Wed, 22 Dec 2010) $
#$Revision: 5269 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/2017772.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_2017772_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_coeditor_code           BP5031
_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                   8.2240
_cell_length_b                   8.2240
_cell_length_c                   5.1260
_exptl_crystal_F_000             149.69
_reflns_d_resolution_high        0.7161
_[local]_cod_data_source_file    bp5031LGTsup2.hkl
_[local]_cod_data_source_block   LGT
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' LGT'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            68.14
_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 53.89 53.56 5.25 o
1 1 0 268.87 312.90 16.08 o
0 2 0 10.62 9.70 1.38 o
1 2 0 380.88 439.98 16.26 o
2 2 0 591.99 643.19 19.35 o
-1 3 0 380.88 455.02 16.77 o
0 3 0 364.95 380.28 13.23 o
1 3 0 1618.90 1746.42 47.14 o
2 3 0 165.55 159.58 4.02 o
3 3 0 2918.16 2964.94 61.37 o
-1 4 0 1618.90 1790.47 48.29 o
0 4 0 64.87 75.80 3.64 o
1 4 0 3047.32 3273.75 72.58 o
2 4 0 130.24 121.37 4.94 o
3 4 0 121.92 134.14 3.71 o
4 4 0 558.60 605.98 13.84 o
-1 5 0 3047.32 3517.64 77.30 o
0 5 0 100.12 107.78 4.51 o
1 5 0 1059.05 1149.65 25.81 o
2 5 0 1519.13 1662.39 33.71 o
3 5 0 65.64 66.64 2.56 o
4 5 0 1000.83 1052.95 25.94 o
5 5 0 1700.82 1756.07 31.98 o
-2 6 0 130.24 134.48 5.32 o
-1 6 0 1059.05 1191.97 26.81 o
0 6 0 481.87 534.03 29.54 o
1 6 0 995.24 1072.43 22.90 o
2 6 0 1025.00 1110.66 22.45 o
3 6 0 279.58 283.40 7.82 o
4 6 0 585.02 618.11 14.26 o
5 6 0 180.21 178.06 3.99 o
-2 7 0 1519.13 1797.10 36.02 o
-1 7 0 995.24 1133.07 24.03 o
0 7 0 591.34 589.96 13.97 o
1 7 0 912.70 818.18 17.61 o
2 7 0 75.75 75.78 3.98 o
3 7 0 343.75 354.49 9.10 o
4 7 0 963.56 936.64 16.84 o
-2 8 0 1025.00 655.89 15.75 o
-1 8 0 912.70 1044.61 21.33 o
0 8 0 0.04 -1.41 2.24 o
1 8 0 101.20 89.26 4.21 o
2 8 0 785.11 790.41 16.40 o
3 8 0 160.47 157.41 5.66 o
-3 9 0 279.58 312.87 8.50 o
-2 9 0 75.75 81.73 4.25 o
-1 9 0 101.20 112.87 4.95 o
0 9 0 3023.92 2990.21 50.57 o
1 9 0 71.64 59.94 3.83 o
-3 10 0 343.75 384.51 9.87 o
-2 10 0 785.11 857.91 17.93 o
-1 10 0 71.64 51.50 3.47 o
-3 11 0 160.47 166.00 6.06 o
0 0 1 64.32 49.45 3.63 o
-1 1 1 15.95 23.46 2.04 o
0 1 1 61.66 58.55 3.82 o
1 1 1 1074.18 1057.05 41.36 o
-3 2 1 2010.34 1984.79 60.26 o
-2 2 1 1322.95 1308.55 46.98 o
0 2 1 1213.63 1233.19 44.33 o
1 2 1 655.11 717.21 23.28 o
2 2 1 294.05 310.86 9.88 o
-5 3 1 1409.23 1433.44 33.80 o
-4 3 1 260.86 299.04 9.45 o
-3 3 1 1099.05 1155.62 33.73 o
0 3 1 1038.16 1070.82 31.39 o
1 3 1 403.69 449.47 13.24 o
2 3 1 923.45 960.94 23.65 o
3 3 1 31.93 32.06 2.54 o
-7 4 1 727.75 778.10 17.62 o
-6 4 1 270.95 287.82 8.27 o
-5 4 1 517.27 572.08 14.92 o
-4 4 1 0.03 1.95 1.57 o
0 4 1 104.30 109.97 4.33 o
1 4 1 581.10 827.30 19.75 o
2 4 1 2531.98 2524.52 51.48 o
3 4 1 59.52 50.25 3.53 o
4 4 1 1075.87 1057.99 21.68 o
-9 5 1 95.73 100.38 4.20 o
-8 5 1 168.06 151.71 5.32 o
-7 5 1 346.96 366.55 9.78 o
-6 5 1 1464.67 1468.56 31.42 o
-5 5 1 735.79 766.70 18.47 o
0 5 1 256.20 240.73 7.29 o
1 5 1 686.66 760.72 17.86 o
2 5 1 1346.30 1559.72 31.19 o
3 5 1 122.38 114.52 5.15 o
4 5 1 12.19 9.08 2.26 o
5 5 1 119.94 113.83 4.30 o
-11 6 1 314.31 308.03 7.90 o
-10 6 1 432.55 146.75 5.54 o
-9 6 1 191.23 194.83 6.02 o
-8 6 1 650.77 629.53 14.09 o
-7 6 1 228.26 265.68 7.66 o
-6 6 1 430.13 442.64 11.55 o
0 6 1 15.14 15.00 2.73 o
1 6 1 820.27 900.46 19.37 o
2 6 1 377.97 389.31 10.43 o
3 6 1 8.37 1.63 3.02 o
4 6 1 70.08 55.77 3.66 o
-11 7 1 78.33 77.39 3.82 o
-10 7 1 1339.92 1360.64 25.22 o
-9 7 1 1947.02 1971.68 35.11 o
-8 7 1 100.84 96.39 4.28 o
-7 7 1 822.44 862.10 18.35 o
0 7 1 394.68 381.10 10.52 o
1 7 1 616.90 649.75 14.90 o
2 7 1 714.79 761.01 16.46 o
3 7 1 394.91 390.83 9.73 o
4 7 1 505.09 429.93 10.06 o
-11 8 1 434.24 436.36 10.28 o
-10 8 1 916.56 893.39 18.02 o
-9 8 1 25.24 18.10 2.97 o
-8 8 1 202.88 148.93 5.14 o
0 8 1 12.02 4.11 3.26 o
1 8 1 628.84 691.06 14.46 o
2 8 1 19.04 11.86 2.42 o
3 8 1 50.79 46.15 3.02 o
-10 9 1 128.77 108.65 4.70 o
-9 9 1 18.97 20.92 3.01 o
0 9 1 123.09 113.18 4.57 o
1 9 1 37.90 39.01 3.01 o
0 0 2 0.01 2.14 0.47 o
-1 1 2 257.42 188.77 7.41 o
0 1 2 860.12 613.28 20.49 o
1 1 2 20.67 19.83 1.82 o
-3 2 2 2928.97 2768.69 69.05 o
-2 2 2 351.00 309.87 10.27 o
0 2 2 585.27 537.74 16.48 o
1 2 2 1000.55 956.77 25.92 o
2 2 2 598.52 701.52 17.94 o
-5 3 2 60.37 55.56 3.09 o
-4 3 2 49.03 46.19 2.82 o
-3 3 2 1735.01 1577.41 39.32 o
0 3 2 1697.97 1609.83 39.89 o
1 3 2 194.99 204.47 6.63 o
2 3 2 270.36 256.88 7.61 o
3 3 2 716.67 767.50 17.54 o
-7 4 2 448.71 484.71 11.60 o
-6 4 2 1519.41 1530.04 31.63 o
-5 4 2 9.71 7.72 2.12 o
-4 4 2 2984.55 2968.78 63.19 o
0 4 2 122.62 114.44 4.37 o
1 4 2 179.35 181.91 6.00 o
2 4 2 106.44 116.07 4.78 o
3 4 2 7.84 13.56 2.48 o
4 4 2 1706.81 1782.79 32.74 o
-9 5 2 2588.08 2734.50 46.15 o
-8 5 2 50.60 55.19 3.29 o
-7 5 2 750.36 673.61 15.27 o
-6 5 2 476.96 494.22 12.45 o
-5 5 2 186.49 182.95 6.29 o
0 5 2 4643.62 4654.43 88.29 o
1 5 2 502.20 574.75 13.93 o
2 5 2 406.47 418.31 10.44 o
3 5 2 147.78 137.76 5.68 o
4 5 2 732.92 753.75 16.31 o
5 5 2 533.94 533.37 11.54 o
-11 6 2 13.77 10.08 2.18 o
-10 6 2 333.10 317.37 8.16 o
-9 6 2 520.92 529.19 11.94 o
-8 6 2 357.62 393.96 9.54 o
-7 6 2 155.50 157.44 5.42 o
-6 6 2 33.36 33.42 3.12 o
0 6 2 9.55 5.36 2.34 o
1 6 2 51.09 62.32 3.40 o
2 6 2 111.92 115.95 5.23 o
3 6 2 814.28 854.81 17.90 o
4 6 2 386.56 418.54 10.00 o
5 6 2 526.07 563.48 12.25 o
-10 7 2 154.01 159.59 5.44 o
-9 7 2 361.64 377.76 9.23 o
-8 7 2 354.98 345.48 8.84 o
-7 7 2 705.41 721.75 15.78 o
0 7 2 80.85 96.56 4.82 o
1 7 2 764.79 812.54 17.28 o
2 7 2 222.89 234.94 6.72 o
3 7 2 163.40 171.24 5.66 o
-10 8 2 15.78 23.56 2.78 o
-9 8 2 154.06 161.91 5.58 o
-8 8 2 376.99 273.74 7.51 o
0 8 2 380.72 422.90 10.71 o
1 8 2 1005.03 1056.38 20.34 o
2 8 2 28.12 10.13 1.93 o
-10 9 2 967.44 950.74 18.56 o
-9 9 2 522.42 490.90 11.45 o
0 9 2 815.85 906.89 17.96 o
1 9 2 279.86 253.49 7.19 o
0 0 3 33.89 35.16 1.83 o
-1 1 3 112.58 82.21 3.69 o
0 1 3 4.46 2.76 1.42 o
1 1 3 533.88 480.31 13.07 o
-3 2 3 67.72 61.82 3.19 o
-2 2 3 1504.22 1232.21 29.52 o
0 2 3 1728.21 1296.21 30.91 o
1 2 3 3409.78 2873.57 61.50 o
2 2 3 533.10 499.39 12.61 o
-5 3 3 945.70 924.53 20.40 o
-4 3 3 571.55 588.83 14.41 o
-3 3 3 1701.31 1594.57 34.97 o
0 3 3 118.31 103.87 3.83 o
1 3 3 780.19 738.94 17.52 o
2 3 3 1358.12 1400.62 29.14 o
3 3 3 969.36 1019.41 21.10 o
-7 4 3 160.36 158.46 5.29 o
-6 4 3 1793.33 1687.91 32.63 o
-5 4 3 352.99 355.65 9.68 o
-4 4 3 168.29 173.55 5.88 o
0 4 3 193.96 184.92 6.07 o
1 4 3 240.66 229.40 7.20 o
2 4 3 145.38 154.55 5.35 o
3 4 3 614.00 670.36 15.19 o
4 4 3 1609.84 1648.17 29.67 o
-9 5 3 12.23 14.06 2.37 o
-8 5 3 615.86 591.97 12.98 o
-7 5 3 305.24 322.44 8.38 o
-6 5 3 136.54 164.72 5.41 o
-5 5 3 458.24 454.38 11.34 o
0 5 3 75.02 74.02 3.80 o
1 5 3 677.49 643.57 14.60 o
2 5 3 576.70 595.84 13.89 o
3 5 3 228.33 231.45 7.27 o
4 5 3 220.68 206.64 6.38 o
5 5 3 114.28 129.86 4.38 o
-10 6 3 484.03 471.18 10.63 o
-9 6 3 207.98 210.21 6.17 o
-8 6 3 4.79 0.43 2.25 o
-7 6 3 1367.62 1362.49 25.90 o
-6 6 3 59.03 50.42 3.02 o
0 6 3 133.88 120.18 5.14 o
1 6 3 703.49 706.32 15.75 o
2 6 3 815.72 835.08 17.48 o
3 6 3 100.10 97.83 4.33 o
4 6 3 606.62 639.47 13.26 o
-10 7 3 183.04 178.68 5.79 o
-9 7 3 1194.88 1157.11 21.89 o
-8 7 3 1411.06 1445.78 26.51 o
-7 7 3 1303.32 1021.62 20.50 o
0 7 3 2651.75 2713.56 47.35 o
1 7 3 416.31 425.83 10.03 o
2 7 3 1316.79 1416.46 25.55 o
3 7 3 922.08 925.39 18.28 o
-9 8 3 544.90 535.44 12.01 o
-8 8 3 42.93 39.56 3.22 o
0 8 3 291.32 328.49 8.40 o
1 8 3 167.41 176.32 5.39 o
-9 9 3 225.84 231.24 6.75 o
0 9 3 10.85 9.59 2.44 o
-1 1 4 9.47 4.73 2.15 o
0 1 4 1011.09 700.76 16.84 o
1 1 4 21.10 22.44 2.53 o
-3 2 4 143.49 126.88 4.77 o
-2 2 4 25.29 19.34 2.51 o
0 2 4 268.74 232.33 7.01 o
1 2 4 985.58 929.02 20.53 o
2 2 4 78.87 72.54 3.80 o
-5 3 4 267.67 326.84 8.38 o
-4 3 4 349.58 346.59 9.17 o
-3 3 4 64.51 84.07 3.94 o
0 3 4 96.35 65.95 3.69 o
1 3 4 940.81 937.48 19.87 o
2 3 4 214.27 221.18 6.46 o
3 3 4 818.71 898.49 18.69 o
-7 4 4 452.36 480.39 11.05 o
-6 4 4 51.14 70.10 3.45 o
-5 4 4 761.26 750.07 16.03 o
-4 4 4 6.05 9.58 2.32 o
0 4 4 983.96 988.87 20.36 o
1 4 4 460.97 524.76 12.55 o
2 4 4 321.95 383.71 9.94 o
3 4 4 150.78 149.75 5.79 o
4 4 4 146.22 135.18 4.49 o
-9 5 4 426.07 377.82 8.94 o
-8 5 4 16.82 9.35 2.22 o
-7 5 4 681.75 666.24 14.21 o
-6 5 4 247.37 264.65 7.19 o
-5 5 4 2200.32 1814.34 33.84 o
0 5 4 4.05 0.56 2.80 o
1 5 4 78.53 74.97 4.52 o
2 5 4 874.08 928.13 18.97 o
3 5 4 108.23 135.32 4.97 o
4 5 4 436.42 465.84 10.46 o
-9 6 4 672.18 713.84 14.53 o
-8 6 4 293.11 290.53 7.76 o
-7 6 4 672.79 693.83 14.57 o
-6 6 4 69.72 44.25 3.01 o
0 6 4 104.04 102.68 5.11 o
1 6 4 455.27 500.13 11.32 o
2 6 4 1338.33 1405.50 25.81 o
3 6 4 164.96 189.83 5.83 o
-9 7 4 61.22 77.78 3.83 o
-8 7 4 266.82 288.43 7.63 o
-7 7 4 369.47 431.57 9.79 o
0 7 4 175.21 185.97 5.86 o
1 7 4 200.43 216.90 6.09 o
2 7 4 278.61 305.44 7.91 o
-8 8 4 10.35 10.45 2.72 o
0 8 4 429.25 456.87 10.61 o
0 0 5 5.43 0.55 0.75 o
-1 1 5 11.71 13.75 2.54 o
0 1 5 215.32 193.93 5.95 o
1 1 5 925.89 919.69 19.55 o
-3 2 5 101.85 120.26 4.53 o
-2 2 5 1956.16 1713.87 32.53 o
0 2 5 0.42 -2.11 2.68 o
1 2 5 12.17 9.26 2.97 o
2 2 5 806.14 832.46 16.88 o
-5 3 5 90.47 86.43 3.92 o
-4 3 5 491.36 479.18 11.15 o
-3 3 5 503.86 577.97 12.71 o
0 3 5 52.30 40.80 3.44 o
1 3 5 780.63 743.70 16.26 o
2 3 5 1216.72 1209.79 23.90 o
3 3 5 413.07 405.60 10.03 o
-7 4 5 221.12 222.11 6.23 o
-6 4 5 249.42 239.21 6.68 o
-5 4 5 144.65 191.52 5.84 o
-4 4 5 85.00 93.91 3.73 o
0 4 5 41.38 37.00 3.54 o
1 4 5 539.12 579.63 13.25 o
2 4 5 562.94 598.72 12.68 o
3 4 5 538.18 602.65 12.93 o
4 4 5 290.48 244.84 7.09 o
-8 5 5 150.12 170.82 5.43 o
-7 5 5 545.96 599.65 12.61 o
-6 5 5 897.98 981.61 18.83 o
-5 5 5 308.46 349.27 8.82 o
0 5 5 179.74 195.61 6.03 o
1 5 5 634.72 716.69 14.61 o
2 5 5 780.00 493.22 11.17 o
3 5 5 557.80 507.01 11.20 o
-7 6 5 180.65 197.62 5.71 o
-6 6 5 317.09 363.74 9.01 o
0 6 5 13.53 6.00 2.33 o
1 6 5 13.58 10.81 2.35 o
-7 7 5 23.16 43.84 3.28 o
0 7 5 395.68 426.23 10.03 o
-1 1 6 70.06 94.62 4.07 o
0 1 6 1105.62 871.61 18.29 o
1 1 6 74.10 80.05 4.47 o
-3 2 6 955.97 762.10 15.82 o
-2 2 6 75.71 122.84 4.57 o
0 2 6 113.13 118.42 4.39 o
1 2 6 217.72 174.00 5.31 o
2 2 6 577.28 613.35 13.32 o
-5 3 6 43.40 41.31 2.84 o
-4 3 6 236.29 282.23 7.49 o
-3 3 6 998.34 947.89 18.84 o
0 3 6 531.46 503.24 11.26 o
1 3 6 29.12 35.33 2.89 o
2 3 6 165.90 159.63 5.05 o
3 3 6 841.95 871.84 17.31 o
-6 4 6 842.69 843.22 16.70 o
-5 4 6 409.70 470.82 10.57 o
-4 4 6 1208.29 1273.52 23.67 o
0 4 6 42.44 43.95 2.99 o
1 4 6 591.26 592.19 12.63 o
2 4 6 14.78 10.37 1.75 o
-5 5 6 127.92 143.79 5.17 o
0 5 6 1474.85 1455.41 26.51 o
0 0 7 11.47 -2.06 2.06 o
-1 1 7 324.44 295.20 7.76 o
0 1 7 1.02 -2.17 2.17 o
1 1 7 92.99 108.96 4.44 o
-2 2 7 157.18 179.59 5.86 o
0 2 7 779.51 691.89 14.62 o