#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/40/2104055.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_2104055_Fobs
loop_
_publ_author_name
'Daszkiewicz, Marek'
'Gulay, Lubomir D.'
'Shemet, Vasylyna Ya.'
_publ_section_title
;
Crystal architecture of R~2~SnS~5~ (R = Pr, Nd, Gd and
Tb): crystal structure relationships in chalcogenides
;
_journal_issue 2
_journal_name_full 'Acta Crystallographica Section B'
_journal_page_first 172
_journal_page_last 176
_journal_volume 64
_journal_year 2008
_space_group_IT_number 55
_symmetry_space_group_name_Hall '-P 2 2ab'
_symmetry_space_group_name_H-M 'P b a m'
_cell_angle_alpha 90.000
_cell_angle_beta 90.000
_cell_angle_gamma 90.000
_cell_length_a 7.7330
_cell_length_b 11.2900
_cell_length_c 3.8217
_exptl_crystal_F_000 516.00
_reflns_d_resolution_high 0.7912
_[local]_cod_data_source_file bs5058gdsup4.hkl
_[local]_cod_data_source_block gd
#BEGIN Tags that were not found in dictionaries:
_shelx_title ' Gd2SnS5 in Pbam'
_shelx_refln_list_code 4
_shelx_F_calc_maximum 255.78
_shelx_F_squared_multiplier 1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'-x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x, y, -z'
'x-1/2, -y-1/2, z'
'-x-1/2, y-1/2, 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
2 0 0 65422.55 69301.45 1469.76 o
4 0 0 27147.77 27047.85 363.81 o
6 0 0 20767.35 20782.80 528.70 o
8 0 0 266.86 233.03 238.55 o
1 1 0 194.24 230.33 75.28 o
2 1 0 5187.87 5242.60 131.43 o
3 1 0 4629.99 4693.36 102.32 o
4 1 0 20700.67 20905.60 262.51 o
5 1 0 1595.11 1445.17 113.20 o
6 1 0 15430.69 15509.74 252.54 o
7 1 0 2117.11 2064.39 186.71 o
8 1 0 6892.18 6662.31 364.65 o
9 1 0 672.60 561.20 249.35 o
0 2 0 1171.86 1232.02 129.57 o
1 2 0 997.86 1000.56 64.86 o
2 2 0 71.83 141.71 58.69 o
3 2 0 12089.43 12278.70 140.40 o
4 2 0 1058.71 1043.52 98.26 o
5 2 0 16117.19 15964.01 250.53 o
6 2 0 1779.38 1704.46 181.48 o
7 2 0 8989.12 9113.58 264.33 o
8 2 0 5227.05 5092.09 352.67 o
9 2 0 4783.58 4941.53 415.25 o
1 3 0 61670.25 60556.24 1151.60 o
2 3 0 2174.43 2355.04 99.48 o
3 3 0 55724.83 56137.82 673.91 o
4 3 0 4017.64 3789.77 112.14 o
5 3 0 6591.78 6244.65 202.01 o
6 3 0 44.93 210.58 123.87 o
7 3 0 143.17 245.70 122.98 o
8 3 0 146.66 216.60 168.36 o
9 3 0 50.28 231.59 262.98 o
0 4 0 33.51 68.71 76.88 o
1 4 0 13010.61 13004.75 202.07 o
2 4 0 1740.32 1777.42 112.11 o
3 4 0 10950.77 11037.25 160.73 o
4 4 0 2322.30 2344.79 134.34 o
5 4 0 7729.84 7513.94 256.92 o
6 4 0 1899.82 1983.71 222.69 o
7 4 0 22110.49 21982.35 402.58 o
8 4 0 4567.97 3903.33 306.85 o
9 4 0 3895.22 3375.99 431.54 o
1 5 0 4674.70 4618.53 170.93 o
2 5 0 2619.15 2849.29 122.39 o
3 5 0 1600.65 1638.15 125.50 o
4 5 0 12219.81 12143.96 199.23 o
5 5 0 3.95 81.31 113.87 o
6 5 0 8572.08 8544.64 294.60 o
7 5 0 1431.94 1468.83 239.85 o
8 5 0 4368.91 3864.89 426.09 o
9 5 0 2473.24 2404.86 430.02 o
0 6 0 61160.86 60163.47 968.62 o
1 6 0 2097.19 2366.00 163.12 o
2 6 0 58342.95 55236.36 1201.51 o
3 6 0 414.31 439.31 143.34 o
4 6 0 25207.55 26355.61 419.90 o
5 6 0 7.34 195.10 140.84 o
6 6 0 3907.60 4149.90 295.39 o
7 6 0 2353.23 2095.75 317.98 o
8 6 0 462.77 956.64 428.28 o
1 7 0 295.29 321.28 112.99 o
2 7 0 984.95 1086.13 159.81 o
3 7 0 2697.78 2737.90 194.66 o
4 7 0 21958.92 22217.22 401.68 o
5 7 0 1.53 186.80 134.94 o
6 7 0 10961.89 10984.93 369.86 o
7 7 0 500.77 577.84 276.78 o
8 7 0 4152.54 4352.35 499.01 o
0 8 0 5469.23 5470.65 274.01 o
1 8 0 1677.93 1625.24 170.54 o
2 8 0 123.82 159.24 116.74 o
3 8 0 3681.25 3818.56 231.41 o
4 8 0 246.48 238.19 167.87 o
5 8 0 4490.85 4677.52 384.19 o
6 8 0 173.85 280.24 207.58 o
7 8 0 6234.14 6027.97 463.98 o
8 8 0 5346.82 5598.71 591.69 o
1 9 0 30553.77 30336.24 616.93 o
2 9 0 276.77 335.74 153.95 o
3 9 0 13646.79 13527.00 379.90 o
4 9 0 1100.89 1045.19 276.18 o
5 9 0 5668.09 6026.48 424.64 o
6 9 0 1209.74 1283.16 339.77 o
7 9 0 384.08 400.48 361.42 o
0 10 0 7742.75 7660.94 400.68 o
1 10 0 584.01 534.07 188.38 o
2 10 0 295.06 191.81 147.18 o
3 10 0 6227.99 6226.43 364.08 o
4 10 0 717.99 494.94 236.67 o
5 10 0 9965.60 9558.47 509.49 o
6 10 0 6236.04 6109.87 474.77 o
1 11 0 1894.27 1826.42 206.68 o
2 11 0 2358.17 2214.96 265.61 o
3 11 0 5480.30 5673.00 330.92 o
4 11 0 1251.51 946.25 248.74 o
5 11 0 251.31 168.32 247.26 o
6 11 0 3116.88 3525.97 488.07 o
0 12 0 24670.65 25660.37 718.51 o
1 12 0 293.26 407.36 202.91 o
2 12 0 17259.39 17157.59 462.03 o
3 12 0 757.18 587.02 229.67 o
4 12 0 9064.74 9259.39 477.05 o
5 12 0 954.71 762.89 373.94 o
1 13 0 296.16 321.90 218.67 o
2 13 0 4049.86 4177.47 390.52 o
3 13 0 1158.69 1138.65 298.30 o
4 13 0 2971.95 3115.23 470.12 o
0 14 0 1716.45 2012.02 557.63 o
1 14 0 442.59 445.62 248.29 o
2 0 1 6902.94 6783.27 189.77 o
4 0 1 499.34 503.11 86.42 o
6 0 1 1967.08 1739.56 182.20 o
8 0 1 7076.46 6844.70 383.67 o
2 1 1 19415.63 19739.12 196.50 o
3 1 1 19398.84 20010.95 259.83 o
4 1 1 5924.18 6089.90 101.61 o
5 1 1 3331.38 3345.14 120.31 o
6 1 1 15950.61 16149.43 209.75 o
7 1 1 585.71 671.81 130.74 o
8 1 1 12737.89 12478.90 273.49 o
9 1 1 75.52 212.81 146.27 o
0 2 1 29589.95 29934.46 495.01 o
1 2 1 529.33 601.08 47.97 o
2 2 1 51975.72 52554.36 654.53 o
3 2 1 11418.82 11497.39 137.13 o
4 2 1 23150.68 23285.28 263.03 o
5 2 1 23289.80 23398.05 247.63 o
6 2 1 1783.62 1702.96 123.89 o
7 2 1 3899.03 3906.93 205.41 o
8 2 1 2240.98 2318.43 196.45 o
9 2 1 5230.07 4935.24 285.02 o
1 3 1 24949.42 25284.38 193.63 o
2 3 1 33.60 79.85 39.13 o
3 3 1 3695.14 3666.31 92.23 o
4 3 1 869.29 889.78 79.95 o
5 3 1 811.84 723.48 99.64 o
6 3 1 97.17 170.20 97.63 o
7 3 1 1167.65 982.38 156.65 o
8 3 1 38.25 180.46 141.12 o
9 3 1 7090.95 7155.90 335.84 o
0 4 1 41223.41 40263.37 433.78 o
1 4 1 1213.35 1264.70 74.40 o
2 4 1 17328.25 17490.89 181.16 o
3 4 1 10838.31 10858.76 125.91 o
4 4 1 9459.74 9398.72 150.82 o
5 4 1 16970.57 16826.46 262.56 o
6 4 1 7534.21 7146.49 223.45 o
7 4 1 10219.18 10392.04 296.41 o
8 4 1 444.42 615.00 192.73 o
9 4 1 4671.33 4689.27 344.58 o
1 5 1 40219.64 38950.78 512.99 o
2 5 1 3294.74 3309.12 114.51 o
3 5 1 4014.92 4024.06 123.33 o
4 5 1 9607.65 9389.91 162.91 o
5 5 1 10940.49 10992.95 186.45 o
6 5 1 8411.05 8221.91 241.07 o
7 5 1 1361.22 1215.97 204.68 o
8 5 1 4734.85 4752.32 301.76 o
0 6 1 1505.44 1706.17 165.56 o
1 6 1 98.46 184.59 70.37 o
2 6 1 8416.54 8138.48 141.23 o
3 6 1 508.67 574.57 106.32 o
4 6 1 891.50 813.77 106.62 o
5 6 1 1554.83 1486.04 133.98 o
6 6 1 5059.75 5211.38 246.20 o
7 6 1 112.59 230.98 158.56 o
8 6 1 2714.79 2657.04 303.95 o
1 7 1 6943.86 6887.71 160.39 o
2 7 1 4584.84 4692.65 151.46 o
3 7 1 4682.05 4714.98 173.96 o
4 7 1 11179.36 11409.10 214.94 o
5 7 1 2038.91 2077.16 182.85 o
6 7 1 11282.55 11186.54 302.97 o
7 7 1 373.33 345.85 158.41 o
8 7 1 6942.66 7088.18 406.48 o
0 8 1 24343.97 23927.43 379.90 o
1 8 1 3480.66 3312.86 154.53 o
2 8 1 29368.54 28548.60 305.91 o
3 8 1 3309.69 3423.31 174.92 o
4 8 1 15086.07 15069.71 256.46 o
5 8 1 2421.76 2508.39 199.95 o
6 8 1 1969.60 1771.24 224.45 o
7 8 1 8194.71 8505.19 387.11 o
1 9 1 8604.68 8438.66 197.06 o
2 9 1 3754.11 3548.47 177.11 o
3 9 1 2290.48 2236.37 187.62 o
4 9 1 140.58 197.87 109.94 o
5 9 1 220.27 262.04 145.57 o
6 9 1 1592.16 1635.17 284.43 o
7 9 1 901.26 842.62 306.34 o
0 10 1 6773.77 6873.06 279.70 o
1 10 1 113.76 161.49 98.79 o
2 10 1 5133.93 5139.05 229.94 o
3 10 1 6144.90 6133.41 224.80 o
4 10 1 3264.52 3169.62 250.39 o
5 10 1 11386.07 11486.76 366.91 o
6 10 1 2189.45 2212.78 324.65 o
1 11 1 13849.63 13967.78 291.71 o
2 11 1 256.54 304.83 145.81 o
3 11 1 10704.84 11043.81 284.06 o
4 11 1 4279.33 4216.80 264.65 o
5 11 1 2491.85 2570.36 290.63 o
0 12 1 6063.49 6678.34 432.42 o
1 12 1 236.42 352.90 175.16 o
2 12 1 401.24 345.32 155.53 o
3 12 1 850.43 830.34 185.32 o
4 12 1 35.35 151.11 145.80 o
1 13 1 299.30 445.53 207.05 o
2 13 1 2837.20 2882.96 302.56 o
3 13 1 2811.55 2834.45 302.38 o
2 0 2 40515.04 40693.43 585.57 o
4 0 2 18528.26 18717.72 295.31 o
6 0 2 15691.71 16415.45 313.63 o
8 0 2 214.03 299.63 226.11 o
1 1 2 179.39 223.36 42.00 o
2 1 2 3401.16 3409.77 81.60 o
3 1 2 2672.46 2497.43 92.76 o
4 1 2 14187.96 14185.67 172.84 o
5 1 2 1100.51 1105.43 121.60 o
6 1 2 11665.14 11499.07 225.05 o
7 1 2 1610.73 1411.81 173.22 o
8 1 2 5515.55 5420.91 321.05 o
0 2 2 848.15 931.74 87.73 o
1 2 2 677.71 639.02 48.49 o
2 2 2 20.77 95.18 43.68 o
3 2 2 7955.58 7906.64 131.46 o
4 2 2 686.55 633.20 97.18 o
5 2 2 11750.42 11755.78 194.89 o
6 2 2 1320.64 1315.36 152.25 o
7 2 2 7040.38 6632.81 257.22 o
8 2 2 4183.44 4614.43 344.83 o
1 3 2 39468.15 39595.38 377.05 o
2 3 2 1111.15 1060.10 78.29 o
3 3 2 36803.74 37214.75 379.44 o
4 3 2 2785.41 2806.84 151.68 o
5 3 2 4720.25 5011.84 188.64 o
6 3 2 33.83 136.24 95.95 o
7 3 2 102.07 317.36 172.12 o
8 3 2 116.91 259.26 218.55 o
0 4 2 15.16 84.93 67.06 o
1 4 2 7543.19 7566.18 119.70 o
2 4 2 1009.85 1033.58 97.96 o
3 4 2 7563.84 7377.73 152.35 o
4 4 2 1619.89 1420.22 114.43 o
5 4 2 5729.57 5998.50 206.76 o
6 4 2 1438.76 1436.00 203.53 o
7 4 2 17504.74 17719.20 555.13 o
8 4 2 3681.89 3719.63 345.75 o
1 5 2 3171.24 3042.32 116.48 o
2 5 2 1822.56 1867.46 116.46 o
3 5 2 1183.95 1213.55 129.30 o
4 5 2 8950.13 9111.41 191.30 o
5 5 2 1.60 156.42 95.53 o
6 5 2 6669.94 6380.95 246.99 o
7 5 2 1118.57 1087.03 251.15 o
8 5 2 3543.14 3484.62 371.49 o
0 6 2 41972.45 41000.23 491.82 o
1 6 2 1413.54 1395.65 130.36 o
2 6 2 40950.72 40266.39 401.13 o
3 6 2 300.64 277.05 96.37 o
4 6 2 18724.10 18948.38 253.27 o
5 6 2 6.00 150.24 102.65 o
6 6 2 3049.51 2882.33 231.69 o
7 6 2 1882.54 1639.85 299.18 o
1 7 2 237.03 280.83 106.11 o
2 7 2 714.96 623.84 111.76 o
3 7 2 1953.92 1901.28 146.22 o
4 7 2 16795.25 17071.26 254.40 o
5 7 2 0.49 183.62 146.92 o
6 7 2 8705.14 8975.51 344.96 o
7 7 2 400.92 363.68 203.86 o
0 8 2 4122.13 4286.65 271.12 o
1 8 2 1250.32 1306.80 157.52 o
2 8 2 102.16 208.98 116.15 o
3 8 2 2803.01 2763.66 204.08 o
4 8 2 188.15 216.44 135.34 o
5 8 2 3543.60 3541.94 276.90 o
6 8 2 139.26 277.99 214.93 o
7 8 2 5054.63 5172.02 544.31 o
1 9 2 23041.98 22369.63 317.72 o
2 9 2 211.55 272.68 164.93 o
3 9 2 10464.06 10217.21 322.26 o
4 9 2 868.31 855.13 184.72 o
5 9 2 4487.35 4329.77 288.11 o
6 9 2 977.55 928.50 269.90 o
0 10 2 6016.20 6081.30 377.04 o
1 10 2 453.98 400.69 134.13 o
2 10 2 221.95 280.28 165.11 o
3 10 2 4921.91 5057.07 318.90 o
4 10 2 570.11 576.11 177.46 o
5 10 2 8038.83 7963.95 394.28 o
1 11 2 1532.66 1640.95 224.47 o
2 11 2 1877.50 1565.67 246.45 o
3 11 2 4412.30 4342.29 325.22 o
4 11 2 1015.52 1024.07 220.27 o
0 12 2 19794.13 20270.68 605.56 o
1 12 2 235.53 411.78 234.19 o
2 12 2 13928.46 14807.00 456.29 o
3 12 2 614.10 593.41 247.19 o
0 0 3 6248.22 6292.52 309.06 o
2 0 3 3554.14 3464.11 175.71 o
4 0 3 303.88 532.42 209.69 o
6 0 3 1164.42 1270.77 313.17 o
1 1 3 9771.79 9490.96 147.74 o
2 1 3 8451.25 8329.12 157.68 o
3 1 3 9323.11 9103.31 204.97 o
4 1 3 3178.73 3108.62 209.08 o
5 1 3 1773.97 1501.65 178.25 o
6 1 3 9669.58 9725.96 336.93 o
7 1 3 349.50 405.03 216.97 o
0 2 3 13469.58 13555.39 255.96 o
1 2 3 122.78 193.41 69.84 o
2 2 3 23606.55 23319.98 242.69 o
3 2 3 5761.77 5717.53 197.02 o
4 2 3 12332.22 12227.32 275.68 o
5 2 3 13508.38 13467.87 319.90 o
6 2 3 1047.34 1061.46 230.20 o
7 2 3 2491.72 2432.86 331.72 o
1 3 3 11781.39 11729.40 175.67 o
2 3 3 12.77 110.57 71.99 o
3 3 3 2068.84 1872.78 151.53 o
4 3 3 481.47 435.37 154.32 o
5 3 3 541.17 459.68 160.82 o
6 3 3 59.58 238.16 165.15 o
7 3 3 724.32 741.03 249.59 o
0 4 3 19138.88 18673.15 352.43 o
1 4 3 607.90 539.01 101.19 o
2 4 3 8626.92 8529.02 201.70 o
3 4 3 5796.85 5719.05 220.59 o
4 4 3 5225.72 5227.64 299.71 o
5 4 3 10110.32 10275.27 378.90 o
6 4 3 4659.39 4856.38 362.85 o
7 4 3 6598.29 6744.40 467.03 o
1 5 3 20233.60 20493.56 264.59 o
2 5 3 1751.54 1708.09 158.83 o
3 5 3 2054.40 2119.27 184.47 o
4 5 3 5574.49 6049.66 318.77 o
5 5 3 6494.83 6752.58 347.59 o
6 5 3 5305.72 5145.54 444.04 o
0 6 3 883.46 1094.89 285.03 o
1 6 3 54.46 191.81 103.77 o
2 6 3 4795.50 4751.54 231.61 o
3 6 3 291.87 392.49 142.33 o
4 6 3 562.27 718.02 211.71 o
5 6 3 965.98 1051.89 266.46 o
6 6 3 3218.44 2942.73 424.40 o
1 7 3 3744.07 3746.92 221.45 o
2 7 3 2648.84 2809.09 219.08 o
3 7 3 2647.61 2759.14 271.75 o
4 7 3 6837.31 6948.67 363.75 o
5 7 3 1239.93 1258.42 323.49 o
0 8 3 14101.43 14248.80 520.66 o
1 8 3 2083.18 2071.45 226.73 o
2 8 3 17490.16 18362.70 352.85 o
3 8 3 2024.07 2138.11 305.32 o
4 8 3 9420.78 9798.95 439.70 o
5 8 3 1568.65 1588.48 361.47 o
1 9 3 5418.46 5605.87 335.03 o
2 9 3 2341.24 2390.52 284.68 o
3 9 3 1495.80 1271.63 243.69 o
4 9 3 90.24 321.47 227.98 o
0 10 3 4235.79 4069.13 577.61 o
1 10 3 72.58 209.85 211.44 o
2 10 3 3248.91 3134.25 392.81 o
3 10 3 3960.16 3730.27 323.95 o
1 11 3 8917.28 8774.54 541.94 o
0 0 4 48284.29 44117.64 2053.50 o
2 0 4 16722.50 16286.55 498.28 o
4 0 4 8487.91 9037.64 498.72 o
1 1 4 112.81 261.67 130.72 o
2 1 4 1431.97 1418.93 232.67 o
3 1 4 1323.85 1269.21 242.67 o
4 1 4 6645.82 6906.00 353.05 o
5 1 4 498.11 540.45 231.60 o
0 2 4 398.28 568.73 229.65 o
1 2 4 283.18 281.78 126.64 o
2 2 4 14.85 164.37 150.31 o
3 2 4 3564.47 3549.69 283.78 o
4 2 4 310.80 312.30 204.58 o
5 2 4 5827.77 5942.21 435.66 o
1 3 4 16288.77 16362.63 318.01 o
2 3 4 498.44 407.06 205.83 o
3 3 4 16435.68 16756.96 444.33 o
4 3 4 1349.16 1491.63 306.25 o
5 3 4 2288.14 2126.84 324.59 o
0 4 4 6.54 277.54 244.72 o
1 4 4 3345.72 3487.65 285.26 o
2 4 4 430.69 449.55 186.34 o
3 4 4 3531.14 3556.89 339.87 o
4 4 4 772.02 687.05 237.27 o
1 5 4 1568.96 1661.07 279.61 o
2 5 4 843.50 707.51 218.50 o
3 5 4 634.62 572.41 272.38 o
4 5 4 4459.08 4903.58 403.87 o
0 6 4 19484.40 20177.13 836.51 o
1 6 4 678.35 500.65 198.90 o
2 6 4 19551.76 20684.89 466.42 o
3 6 4 148.49 189.22 231.95 o
1 7 4 142.63 301.57 223.27 o
2 7 4 357.33 540.97 275.43 o
0 8 4 2094.99 1873.18 425.95 o