#------------------------------------------------------------------------------
#$Date: 2010-04-11 15:29:29 +0300 (Sun, 11 Apr 2010) $
#$Revision: 1088 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/2017555.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_2017555_Fobs
loop_
_publ_author_name
'Gulay, L. D.'
'Daszkiewicz, M.'
'Ruda, I. P.'
'Marchuk, O. V.'
_publ_section_title
;
 La~2~Pb(SiS~4~)~2~
;
_journal_coeditor_code           FN3045
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              i19
_journal_page_last               i21
_journal_volume                  66
_journal_year                    2010
_space_group_IT_number           167
_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                   9.0522
_cell_length_b                   9.0522
_cell_length_c                   26.9641
_exptl_crystal_F_000             2112.00
_reflns_d_resolution_high        0.7708
_[local]_cod_data_source_file    fn3045Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' la14 in R-3c'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            1079.17
_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'
'-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-1/6'
'-x+y+2/3, y+1/3, z-1/6'
'x+2/3, x-y+1/3, z-1/6'
'-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+1/6'
'-x+y+1/3, y+2/3, z+1/6'
'x+1/3, x-y+2/3, z+1/6'
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
-1 2 0 86385.13 89642.22 2139.49 o
0 3 0 1149044.38 1100142.88 12726.82 o
-2 4 0 79651.32 80477.04 914.48 o
-1 5 0 1009.11 1564.52 50.60 o
-3 6 0 452847.66 459744.34 4431.54 o
0 6 0 420342.94 432055.59 5514.42 o
-2 7 0 29872.63 29336.19 230.92 o
-4 8 0 2965.59 3131.61 137.67 o
-1 8 0 12551.60 12287.16 221.94 o
-3 9 0 240727.47 243762.83 1805.11 o
0 9 0 157841.42 157675.63 1821.24 o
-5 10 0 3084.83 4299.00 593.54 o
-2 10 0 2492.77 2458.99 138.09 o
-4 11 0 4538.41 5711.86 499.27 o
-2 3 1 20385.38 21984.48 93.60 o
-1 4 1 15608.31 15160.94 131.04 o
-3 5 1 5776.89 5872.01 79.68 o
-5 6 1 25786.03 24732.43 218.29 o
-2 6 1 77445.63 75479.09 504.67 o
-4 7 1 32.68 157.34 48.43 o
-1 7 1 24159.25 23857.44 291.74 o
-6 8 1 53840.48 53267.49 395.34 o
-3 8 1 34063.79 32805.04 269.10 o
-8 9 1 25883.97 26441.82 340.37 o
-5 9 1 33599.61 33545.96 248.41 o
-2 9 1 13017.71 13218.96 179.11 o
-7 10 1 207.94 276.73 85.28 o
-4 10 1 1073.92 864.36 109.42 o
-1 10 1 100.08 280.09 94.88 o
-6 11 1 7574.75 7591.42 225.58 o
-3 11 1 1257.43 907.58 219.43 o
0 1 2 33149.15 35922.82 248.69 o
-2 2 2 17855.68 17524.97 187.93 o
-1 3 2 49966.01 51788.61 622.37 o
-3 4 2 17911.27 17345.73 126.87 o
0 4 2 93862.16 89578.03 1004.54 o
-5 5 2 490.38 959.44 161.98 o
-2 5 2 16196.72 15223.20 119.38 o
-4 6 2 10680.00 10517.33 108.84 o
-1 6 2 4047.72 4003.89 82.99 o
-6 7 2 6832.26 6640.24 111.05 o
-3 7 2 31309.90 30166.79 186.87 o
0 7 2 2802.08 2597.72 123.91 o
-8 8 2 7189.88 7023.21 222.85 o
-5 8 2 30883.91 31152.23 309.16 o
-2 8 2 13156.04 12625.88 178.14 o
-7 9 2 7.71 190.88 73.62 o
-4 9 2 46.13 135.90 62.50 o
-1 9 2 3449.49 3370.42 144.44 o
-9 10 2 2485.63 2467.81 177.00 o
-6 10 2 28914.48 28212.50 278.52 o
-3 10 2 27881.04 28446.44 407.01 o
-8 11 2 10796.33 10398.94 586.73 o
-5 11 2 22788.80 22527.02 330.16 o
-2 11 2 4439.08 3996.13 893.95 o
-1 2 3 601934.69 586253.69 4559.87 o
-2 4 3 557857.19 559948.56 2852.44 o
-4 5 3 231401.13 233761.92 1205.90 o
-1 5 3 503039.44 504916.94 3719.89 o
-3 6 3 2686.20 2629.34 71.64 o
-5 7 3 179061.50 183223.55 1249.95 o
-2 7 3 203319.27 205807.36 1625.57 o
-7 8 3 77793.75 78823.10 1017.60 o
-4 8 3 139677.08 140215.63 978.38 o
-1 8 3 116333.63 116131.20 1585.48 o
-6 9 3 2674.37 2472.96 113.55 o
-3 9 3 12307.99 12328.46 171.15 o
-8 10 3 73306.71 73101.00 911.46 o
-5 10 3 51999.36 51788.61 535.64 o
-2 10 3 17717.10 16788.45 354.43 o
-7 11 3 53406.94 51087.60 753.70 o
-1 1 4 8017.92 8408.81 122.07 o
0 2 4 118981.16 121148.80 1720.18 o
-2 3 4 9796.41 9338.83 64.89 o
-4 4 4 6849.64 6048.75 87.37 o
-1 4 4 1598.72 1975.38 41.71 o
-3 5 4 67146.25 64890.11 392.96 o
0 5 4 51669.59 50276.48 617.93 o
-5 6 4 32355.71 31944.19 252.59 o
-2 6 4 166.65 367.08 49.95 o
-7 7 4 78307.82 79445.62 1422.82 o
-4 7 4 1206.92 1068.63 96.28 o
-1 7 4 1912.62 2076.09 83.15 o
-6 8 4 45322.01 45957.84 298.50 o
-3 8 4 11590.16 11058.88 187.30 o
0 8 4 38954.21 39512.02 537.76 o
-8 9 4 26650.81 26628.90 305.62 o
-5 9 4 14394.08 14927.03 202.34 o
-2 9 4 572.14 604.08 88.18 o
-10 10 4 23595.84 24088.86 996.73 o
-7 10 4 20088.53 20357.21 364.46 o
-4 10 4 1552.95 1562.31 110.61 o
-1 10 4 2693.02 2379.51 176.56 o
-6 11 4 6105.42 5928.91 203.42 o
-3 11 4 11096.92 10351.19 625.64 o
-1 3 5 68505.66 66983.34 426.10 o
-3 4 5 21258.89 20477.82 134.51 o
-2 5 5 7571.72 6808.74 72.94 o
-4 6 5 2185.44 2142.10 67.29 o
-1 6 5 57824.21 56848.66 611.17 o
-6 7 5 5680.90 5469.40 114.02 o
-3 7 5 4600.51 4210.22 90.33 o
-5 8 5 472.83 471.37 77.23 o
-2 8 5 27937.56 27205.67 386.75 o
-7 9 5 8832.19 8897.52 152.08 o
-4 9 5 11284.00 10906.26 168.81 o
-1 9 5 52996.30 53987.49 542.72 o
-9 10 5 18494.72 18407.75 339.19 o
-6 10 5 29.75 165.60 76.66 o
-3 10 5 1435.93 1545.96 134.30 o
-8 11 5 5013.03 4956.51 378.89 o
-5 11 5 18270.52 18374.98 278.06 o
0 0 6 482674.59 493591.81 1453.53 o
-1 2 6 149267.50 150423.03 1201.54 o
-3 3 6 839830.81 828263.31 7520.52 o
0 3 6 614704.25 604087.69 4948.12 o
-2 4 6 96817.25 98773.53 416.41 o
-4 5 6 191242.17 192633.66 1226.63 o
-1 5 6 144776.75 144762.89 966.52 o
-6 6 6 342413.28 352411.28 3876.84 o
-3 6 6 425512.06 434380.94 2667.51 o
0 6 6 210412.31 213288.02 2739.58 o
-5 7 6 69253.00 69597.53 443.46 o
-2 7 6 24301.49 24531.36 347.45 o
-7 8 6 14204.30 14051.11 170.93 o
-4 8 6 45066.91 46327.06 271.00 o
-1 8 6 35040.88 35427.20 387.52 o
-9 9 6 50040.15 48040.70 1241.21 o
-6 9 6 85806.23 85015.65 762.71 o
-3 9 6 107220.85 108241.20 1360.04 o
0 9 6 65200.50 60225.95 818.12 o
-8 10 6 32314.51 31354.57 574.77 o
-5 10 6 31845.53 31555.02 315.03 o
-2 10 6 15288.56 14448.29 304.50 o
-7 11 6 381.78 593.34 139.86 o
-4 11 6 11459.79 10900.18 519.52 o
-2 3 7 116035.00 113350.95 688.35 o
-1 4 7 273.09 437.98 38.81 o
-3 5 7 47386.68 45364.32 170.81 o
-5 6 7 23071.64 21831.23 188.10 o
-2 6 7 6513.37 6548.95 87.92 o
-4 7 7 5160.96 4722.25 100.95 o
-1 7 7 262.10 432.78 71.34 o
-6 8 7 3656.43 3549.55 104.43 o
-3 8 7 3292.45 3117.72 97.09 o
-8 9 7 14589.40 15145.22 263.95 o
-5 9 7 31964.35 32853.32 250.31 o
-2 9 7 14433.72 15142.18 294.04 o
-7 10 7 1222.79 1101.53 123.89 o
-4 10 7 7741.38 7639.31 174.54 o
-1 10 7 4620.54 4308.97 233.80 o
-6 11 7 16424.81 15384.80 326.82 o
-3 11 7 3728.09 4115.61 569.46 o
0 1 8 60552.17 64272.76 718.06 o
-2 2 8 7096.28 7171.37 79.28 o
-1 3 8 702.29 945.63 37.25 o
-3 4 8 270.64 404.17 39.32 o
0 4 8 8237.74 7812.24 132.08 o
-5 5 8 130833.17 129140.63 1013.69 o
-2 5 8 28958.73 27983.71 159.73 o
-4 6 8 307.38 392.17 49.57 o
-1 6 8 29308.77 28434.10 291.04 o
-6 7 8 9807.80 9314.01 114.14 o
-3 7 8 31136.69 30830.68 248.43 o
0 7 8 60739.12 60349.95 949.76 o
-8 8 8 17723.13 17387.17 353.46 o
-5 8 8 29978.63 30732.90 234.30 o
-2 8 8 19367.04 19314.91 226.60 o
-7 9 8 1848.53 1659.73 113.02 o
-4 9 8 24597.84 25117.26 320.42 o
-1 9 8 24565.07 25701.80 403.57 o
-9 10 8 79.74 253.79 211.18 o
-6 10 8 5299.14 5606.21 194.28 o
-3 10 8 19729.08 21088.63 501.36 o
-8 11 8 6240.82 5626.75 656.53 o
-5 11 8 7931.96 8479.40 404.73 o
-1 2 9 845834.25 832909.81 7140.10 o
-2 4 9 247241.97 250433.59 1391.03 o
-4 5 9 298564.72 303320.75 1995.56 o
-1 5 9 195572.36 196752.98 1604.19 o
-3 6 9 21410.59 21059.39 176.18 o
-5 7 9 133045.16 135773.42 987.95 o
-2 7 9 119236.61 119715.38 838.59 o
-7 8 9 135266.11 136732.31 1419.70 o
-4 8 9 140413.19 141003.89 823.84 o
-1 8 9 115018.48 116148.53 1281.06 o
-6 9 9 752.05 850.62 125.60 o
-3 9 9 1929.31 1739.92 122.13 o
-8 10 9 45874.91 45480.91 842.99 o
-5 10 9 69419.63 69636.33 672.50 o
-2 10 9 78524.98 77923.02 1366.46 o
-7 11 9 33871.26 32149.15 920.85 o
-4 11 9 36460.99 36907.29 1377.74 o
-1 1 10 1768.52 2185.87 46.25 o
0 2 10 9969.77 10073.78 110.22 o
-2 3 10 3216.89 3316.23 47.21 o
-4 4 10 4998.12 5056.12 94.51 o
-1 4 10 15086.04 14549.53 137.55 o
-3 5 10 846.37 2339.43 390.47 o
0 5 10 36478.99 35316.23 396.42 o
-5 6 10 4490.48 4195.44 83.40 o
-2 6 10 503.95 484.76 49.61 o
-7 7 10 28411.12 29312.89 813.47 o
-4 7 10 77837.21 77834.74 433.21 o
-1 7 10 36863.17 37699.94 417.10 o
-6 8 10 1588.49 1528.07 118.66 o
-3 8 10 19207.55 19057.29 198.53 o
0 8 10 1478.73 1729.74 160.59 o
-8 9 10 4391.42 4810.17 214.97 o
-5 9 10 5525.92 5168.58 210.83 o
-2 9 10 6.32 153.51 66.32 o
-7 10 10 27862.52 29843.40 345.29 o
-4 10 10 23340.78 24212.46 328.98 o
-1 10 10 399.21 613.93 219.09 o
-6 11 10 7419.85 7601.29 561.70 o
-1 3 11 24670.46 23777.78 172.45 o
-3 4 11 737.44 753.70 39.37 o
-2 5 11 38266.81 38195.03 295.66 o
-4 6 11 31660.50 31260.33 256.89 o
-1 6 11 13291.85 13012.55 133.04 o
-6 7 11 3159.88 3349.42 114.43 o
-3 7 11 2887.88 3108.97 107.25 o
-5 8 11 21984.68 21768.06 243.61 o
-2 8 11 5939.61 5946.05 136.71 o
-7 9 11 20986.25 21233.80 300.49 o
-4 9 11 46067.27 48099.79 336.37 o
-1 9 11 8630.75 8888.60 194.55 o
-9 10 11 267.35 857.83 913.18 o
-6 10 11 10410.93 9625.54 239.25 o
-3 10 11 523.12 521.14 123.35 o
-5 11 11 10025.70 9928.10 767.47 o
0 0 12 1164617.25 1157386.88 16283.69 o
-1 2 12 43191.76 44768.82 366.40 o
-3 3 12 636806.81 640891.75 5177.02 o
0 3 12 922641.00 916561.81 9571.60 o
-2 4 12 29107.15 29945.25 233.87 o
-4 5 12 9553.56 10589.43 225.12 o
-1 5 12 29931.90 30198.65 171.16 o
-6 6 12 218092.23 224325.33 4163.16 o
-3 6 12 417238.16 422943.59 1599.24 o
0 6 12 414952.47 421334.78 2649.76 o
-5 7 12 2180.94 2230.77 97.53 o
-2 7 12 34683.79 34923.32 353.79 o
-7 8 12 12810.10 12483.48 206.75 o
-4 8 12 5685.01 5674.22 200.14 o
-1 8 12 993.32 1143.46 115.18 o
-9 9 12 106513.20 102928.37 2561.49 o
-6 9 12 175815.91 183389.25 2028.19 o
-3 9 12 143593.17 146076.59 1353.79 o
0 9 12 81543.78 80995.62 3054.29 o
-8 10 12 712.39 1216.77 274.20 o
-5 10 12 8250.18 8102.83 235.07 o
-2 10 12 10079.05 9517.69 351.49 o
-2 3 13 982.24 850.45 50.03 o
-1 4 13 23282.33 22581.97 176.73 o
-3 5 13 123.33 345.47 54.74 o
-5 6 13 40427.37 41645.17 344.76 o
-2 6 13 9829.53 9452.95 118.90 o
-4 7 13 1385.66 1329.55 92.25 o
-1 7 13 10868.59 11132.48 151.52 o
-6 8 13 41156.43 42026.48 294.05 o
-3 8 13 1458.42 1591.99 113.98 o
-8 9 13 48849.30 51386.38 924.82 o
-5 9 13 7805.09 8310.08 194.21 o
-2 9 13 6126.73 6131.21 190.25 o
-7 10 13 117.74 245.26 134.63 o
-4 10 13 1315.17 1270.64 184.02 o
0 1 14 6181.15 6292.21 85.08 o
-2 2 14 66795.47 64830.17 703.01 o
-1 3 14 24479.02 23496.77 145.40 o
-3 4 14 1296.37 1224.05 60.61 o
0 4 14 48174.16 47632.60 359.77 o
-5 5 14 5685.05 5898.09 156.88 o
-2 5 14 36568.61 36429.19 247.82 o
-4 6 14 529.53 610.54 79.22 o
-1 6 14 14039.63 14003.95 142.67 o
-6 7 14 1410.43 1206.04 95.00 o
-3 7 14 1457.13 1321.07 92.32 o
0 7 14 25294.61 25945.75 323.72 o
-8 8 14 26658.76 28934.09 658.31 o
-5 8 14 9350.37 9248.64 181.96 o
-2 8 14 27386.16 28427.84 252.79 o
-7 9 14 141.20 194.30 91.26 o
-4 9 14 1876.32 1900.01 119.58 o
-1 9 14 9107.45 9280.77 236.10 o
-6 10 14 5079.44 4999.38 210.51 o
-3 10 14 18712.61 19333.63 349.63 o
-1 2 15 232046.08 236904.80 1271.95 o
-2 4 15 390978.84 393360.72 2789.35 o
-4 5 15 262159.47 268258.94 1303.97 o
-1 5 15 223625.75 223907.97 1505.78 o
-3 6 15 12569.28 12356.50 146.20 o
-5 7 15 141515.25 144691.67 658.52 o
-2 7 15 148527.86 154520.56 1158.04 o
-7 8 15 59615.02 59691.21 690.83 o
-4 8 15 85143.41 83564.36 464.89 o
-1 8 15 56312.26 52495.73 650.47 o
-6 9 15 3121.43 3468.95 159.36 o
-3 9 15 200.35 268.05 105.20 o
-5 10 15 28155.14 27084.50 351.05 o
-1 1 16 3201.25 3148.61 80.70 o
0 2 16 67064.24 65459.73 625.53 o
-2 3 16 48673.85 47863.23 323.06 o
-4 4 16 35047.67 35357.79 405.18 o
-1 4 16 93.99 203.77 43.28 o
-3 5 16 39353.73 39162.88 285.08 o
0 5 16 2002.08 2028.57 116.41 o
-5 6 16 12956.75 12852.10 147.66 o
-2 6 16 7780.91 7903.58 117.23 o
-7 7 16 3523.02 4263.36 224.74 o
-4 7 16 320.16 302.59 75.65 o
-1 7 16 3815.43 3436.45 125.91 o
-6 8 16 26952.68 27197.29 255.97 o
-3 8 16 16676.48 17358.85 210.49 o
0 8 16 14981.67 13578.51 308.68 o
-8 9 16 10523.36 10288.14 384.73 o
-5 9 16 1446.73 1213.48 131.59 o
-2 9 16 725.80 915.40 142.32 o
-7 10 16 11989.06 12516.05 896.98 o
-4 10 16 4017.14 4194.79 280.21 o
-1 3 17 1692.80 1749.61 60.06 o
-3 4 17 25051.90 24750.43 163.90 o
-2 5 17 188.30 311.11 52.47 o
-4 6 17 26099.33 26462.56 204.82 o
-1 6 17 28446.66 28020.74 223.70 o
-6 7 17 17557.87 17435.55 201.11 o
-3 7 17 146.71 285.49 72.42 o
-5 8 17 4863.87 4806.48 167.73 o
-2 8 17 47102.23 49116.11 327.35 o
-7 9 17 5319.10 5616.02 208.29 o
-4 9 17 10731.81 11476.69 207.35 o
-1 9 17 34665.88 35576.48 440.24 o
-6 10 17 37.19 144.56 127.44 o
-3 10 17 51.33 980.81 1090.47 o
0 0 18 729219.81 733927.69 12903.13 o
-1 2 18 97563.95 99238.73 613.55 o
-3 3 18 405183.56 407487.69 3932.57 o
0 3 18 280828.81 288363.00 5553.81 o
-2 4 18 86914.44 88295.76 718.28 o
-4 5 18 32632.07 32856.13 240.91 o
-1 5 18 15711.26 16006.73 191.63 o
-6 6 18 221515.42 226069.89 2050.24 o
-3 6 18 170958.64 172094.50 1354.87 o
0 6 18 117471.00 115202.10 682.07 o
-5 7 18 62613.18 62190.45 423.48 o
-2 7 18 23263.26 23255.33 234.75 o
-7 8 18 14786.32 14031.28 262.62 o
-4 8 18 15668.01 14009.51 207.24 o
-1 8 18 31966.14 31265.60 423.12 o
-6 9 18 79479.77 76578.20 466.28 o
-3 9 18 94052.47 90484.67 528.77 o
-5 10 18 9067.52 8303.80 828.03 o
-2 3 19 338.53 330.73 62.14 o
-1 4 19 217.62 322.07 60.27 o
-3 5 19 16241.89 16236.17 181.20 o
-5 6 19 6648.41 6556.26 149.74 o
-2 6 19 30970.47 31198.84 240.45 o
-4 7 19 113.22 180.05 77.51 o
-1 7 19 4989.41 5529.37 141.61 o
-6 8 19 12382.78 12508.52 220.33 o
-3 8 19 19581.72 19629.20 245.61 o
-5 9 19 23792.49 24581.93 402.13 o
-2 9 19 7112.94 7845.44 294.56 o
0 1 20 543.55 605.57 75.27 o
-2 2 20 1045.31 1019.87 83.17 o
-1 3 20 6680.10 6558.18 109.17 o
-3 4 20 2123.85 2113.94 111.80 o
0 4 20 4869.04 4716.28 158.47 o
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