#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/36/2013695.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_2013695_Fobs
loop_
_publ_author_name
'Tokaychuk, Yaroslav O.'
'Filinchuk, Yaroslav E.'
'Fedorchuk, Anatoliy O.'
'Bodak, Oksana I.'
_publ_section_title
;
 Partial Sn-atom ordering in Sm~3~Ga~0.80{--~2.48}Sn~4.20{--~2.52}
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              i125
_journal_page_last               i127
_journal_volume                  59
_journal_year                    2003
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   9.9680
_cell_length_b                   7.9720
_cell_length_c                   10.0560
_exptl_crystal_F_000             1600.13
_reflns_d_resolution_high        0.7109
_[local]_cod_data_source_file    sq1031Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' Sm3Ga2Sn3 in Cmcm'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            1108.32
_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+1/2'
'-x, y, -z+1/2'
'x, -y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x, y, -z-1/2'
'x, -y, z-1/2'
'-x, y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, y+1/2, -z-1/2'
'x+1/2, -y+1/2, z-1/2'
'-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 0 141.01 362.56 1579.40 o
4 0 0 664225.50 702425.69 24586.72 o
6 0 0 371480.66 383592.16 16840.27 o
8 0 0 842.53 636.73 1406.80 o
10 0 0 525134.31 525335.50 1717.79 o
12 0 0 1302.15 1745.20 1113.67 o
14 0 0 122518.09 111421.18 1937.60 o
3 1 0 142905.64 164983.06 2115.48 o
5 1 0 45665.71 47986.73 689.39 o
7 1 0 74498.27 82068.04 1150.53 o
9 1 0 0.05 183.59 484.87 o
11 1 0 121.80 1190.26 715.82 o
13 1 0 29537.70 28186.93 1115.40 o
0 2 0 2835.27 2608.30 1696.17 o
2 2 0 33439.75 36264.68 2892.82 o
4 2 0 3641.93 4294.14 691.00 o
6 2 0 47.77 221.96 498.56 o
8 2 0 24482.76 24933.78 615.09 o
10 2 0 2647.59 3111.08 605.08 o
12 2 0 6045.81 6558.51 907.25 o
1 3 0 468406.31 443910.69 15703.64 o
3 3 0 1063.44 1858.94 614.30 o
5 3 0 802555.00 836436.44 27108.14 o
7 3 0 3.49 262.45 554.92 o
9 3 0 185016.42 187209.58 2417.92 o
11 3 0 94118.01 90439.78 1928.30 o
13 3 0 329.66 609.61 909.66 o
0 4 0 187275.33 181587.95 2185.46 o
2 4 0 241500.56 232089.83 12001.31 o
4 4 0 7355.98 7924.53 597.07 o
6 4 0 909.40 1707.28 553.31 o
8 4 0 103106.41 106162.34 888.81 o
10 4 0 57370.41 59268.96 795.33 o
12 4 0 70792.51 73554.84 2539.47 o
1 5 0 39.86 302.43 495.07 o
3 5 0 16282.17 15705.93 790.21 o
5 5 0 3600.08 3788.21 492.88 o
7 5 0 6683.90 6562.97 618.51 o
9 5 0 670.40 881.30 809.89 o
11 5 0 1334.48 1488.03 758.32 o
0 6 0 249672.53 238976.97 1928.55 o
2 6 0 1308.50 1438.37 644.39 o
4 6 0 83066.59 83978.30 1183.36 o
6 6 0 73778.20 81288.04 5635.19 o
8 6 0 121.76 -40.14 694.46 o
10 6 0 101478.20 102252.39 1411.11 o
1 7 0 5882.14 5805.69 614.63 o
3 7 0 137092.27 136721.98 7028.47 o
5 7 0 110193.84 112360.00 3157.55 o
7 7 0 113944.60 121153.77 1753.32 o
9 7 0 7331.22 6967.13 890.49 o
0 8 0 26385.39 25804.52 956.35 o
2 8 0 21895.46 21819.48 1289.09 o
4 8 0 1753.70 1977.43 623.54 o
6 8 0 1654.25 1548.25 673.62 o
8 8 0 12898.49 13313.13 797.95 o
1 9 0 7288.08 6642.75 755.13 o
3 9 0 502.07 1417.80 674.94 o
5 9 0 17242.71 18858.55 904.44 o
7 9 0 57.27 1225.98 894.80 o
0 10 0 53620.83 58132.59 1651.26 o
2 10 0 52406.25 56404.50 3445.00 o
4 10 0 3422.39 3940.93 1106.25 o
6 10 0 1441.38 1895.43 1064.47 o
1 11 0 3595.78 4346.28 1037.99 o
1 1 1 358.58 623.37 994.51 o
3 1 1 92759.69 104212.44 1316.20 o
5 1 1 38058.77 40516.90 521.61 o
7 1 1 64984.25 68143.15 1033.07 o
9 1 1 2452.06 2995.29 358.02 o
11 1 1 2044.55 1973.44 499.18 o
13 1 1 10690.41 9620.17 748.95 o
0 2 1 2723.18 2506.58 1267.01 o
2 2 1 101275.07 112620.65 2486.38 o
4 2 1 15334.21 16090.26 456.94 o
6 2 1 17987.37 18708.73 413.88 o
8 2 1 36487.92 35873.77 406.12 o
10 2 1 1460.20 2137.43 481.38 o
12 2 1 23598.35 24621.82 710.88 o
1 3 1 14698.37 14291.96 633.49 o
3 3 1 10139.07 10940.95 500.85 o
5 3 1 52232.82 52654.75 995.09 o
7 3 1 9869.02 9928.82 390.11 o
9 3 1 12222.69 12710.91 506.04 o
11 3 1 821.97 1224.12 453.19 o
13 3 1 335.05 468.07 665.71 o
0 4 1 78726.52 74375.39 1601.75 o
2 4 1 13012.67 12868.50 623.66 o
4 4 1 17744.03 17717.93 435.85 o
6 4 1 5304.80 5712.74 377.09 o
8 4 1 3179.91 2926.24 457.36 o
10 4 1 21374.52 22585.83 562.11 o
12 4 1 5212.83 5779.94 704.79 o
1 5 1 50991.74 47417.52 1663.43 o
3 5 1 17900.55 17962.38 576.67 o
5 5 1 60704.11 61578.36 1396.96 o
7 5 1 9078.08 9276.71 436.82 o
9 5 1 28919.92 30397.21 544.98 o
11 5 1 12023.66 12500.65 592.95 o
0 6 1 76267.59 74376.50 1734.45 o
2 6 1 8729.26 8599.95 483.70 o
4 6 1 20926.35 21688.10 587.80 o
6 6 1 7541.82 8331.74 416.87 o
8 6 1 1438.88 1166.47 501.82 o
10 6 1 28984.84 29616.97 735.85 o
1 7 1 16597.33 16089.23 493.06 o
3 7 1 10705.34 11080.60 457.53 o
5 7 1 15220.97 16634.40 496.41 o
7 7 1 7587.62 7559.11 539.86 o
9 7 1 7105.10 7655.36 548.83 o
0 8 1 79816.92 79851.77 2258.46 o
2 8 1 386.50 1058.81 431.29 o
4 8 1 34983.23 35694.16 978.26 o
6 8 1 18166.26 18695.32 535.15 o
8 8 1 1511.50 1472.33 650.53 o
1 9 1 6674.58 6777.71 508.86 o
3 9 1 42.29 293.28 569.54 o
5 9 1 14576.29 15697.37 555.58 o
7 9 1 15.03 405.15 648.19 o
0 10 1 1818.92 2516.41 875.41 o
2 10 1 33703.69 35373.31 1338.40 o
4 10 1 6388.21 7377.84 711.25 o
6 10 1 10021.43 10638.59 749.73 o
1 11 1 8451.54 9102.75 761.08 o
0 0 2 2064.59 2406.54 1337.19 o
2 0 2 43938.27 46612.85 1126.69 o
4 0 2 15729.85 16689.08 652.91 o
6 0 2 1929.04 2217.73 466.38 o
8 0 2 33981.21 34416.80 641.78 o
10 0 2 107.68 414.80 846.04 o
12 0 2 10294.29 10356.43 908.02 o
1 1 2 4616.90 4874.38 772.61 o
3 1 2 209543.52 230140.73 3717.50 o
5 1 2 118470.81 121512.02 1801.22 o
7 1 2 117705.82 122383.58 1606.08 o
9 1 2 3919.46 4471.11 410.31 o
11 1 2 1111.69 1832.59 466.18 o
13 1 2 33694.50 32949.32 955.12 o
0 2 2 218379.16 207893.95 6880.64 o
2 2 2 604804.06 601768.94 21031.59 o
4 2 2 264.75 1172.24 473.12 o
6 2 2 2327.18 3528.26 452.37 o
8 2 2 215866.83 217180.69 1798.67 o
10 2 2 62776.52 62679.09 1095.07 o
12 2 2 132854.91 129738.97 3063.27 o
1 3 2 1377.96 1414.23 527.31 o
3 3 2 61902.69 62779.19 1455.79 o
5 3 2 6225.15 6273.87 352.69 o
7 3 2 33258.13 34246.71 819.13 o
9 3 2 2403.56 2891.16 488.27 o
11 3 2 13.79 -227.37 513.39 o
13 3 2 21038.55 19584.31 1142.41 o
0 4 2 69015.79 64758.74 2572.35 o
2 4 2 7754.68 7198.43 427.57 o
4 4 2 9714.42 9847.23 411.66 o
6 4 2 15486.69 15758.68 393.47 o
8 4 2 6975.53 7640.46 460.52 o
10 4 2 30163.47 31028.88 716.76 o
12 4 2 1416.80 2187.54 694.15 o
1 5 2 8634.64 8503.45 414.64 o
3 5 2 387637.31 397069.81 16979.18 o
5 5 2 55956.40 55327.13 1108.97 o
7 5 2 273524.66 279015.59 3163.33 o
9 5 2 300.68 100.81 487.16 o
11 5 2 6043.05 5243.80 656.88 o
0 6 2 76968.58 76652.73 3044.43 o
2 6 2 74051.49 72562.10 2505.93 o
4 6 2 4615.05 4861.78 406.74 o
6 6 2 1736.61 2261.47 417.43 o
8 6 2 39664.18 42048.03 510.43 o
10 6 2 30211.69 31745.38 867.94 o
1 7 2 22373.89 22650.61 750.21 o
3 7 2 2515.62 2679.44 492.55 o
5 7 2 32819.50 33183.29 721.20 o
7 7 2 3621.43 4084.10 477.64 o
9 7 2 6422.28 6380.65 576.91 o
0 8 2 6415.62 6518.96 607.89 o
2 8 2 159055.50 159568.72 5955.35 o
4 8 2 8950.49 9102.25 566.33 o
6 8 2 8414.47 9077.35 478.67 o
8 8 2 96784.68 99242.11 1582.64 o
1 9 2 12821.73 13613.71 628.02 o
3 9 2 41892.99 43274.00 1230.97 o
5 9 2 86733.25 92743.78 3404.55 o
7 9 2 38579.75 40195.34 1092.10 o
0 10 2 40133.93 40673.09 1660.50 o
2 10 2 1516.39 1442.71 657.82 o
4 10 2 15804.72 16147.38 760.72 o
6 10 2 16563.41 15691.20 710.15 o
1 11 2 6224.94 5272.22 925.06 o
1 1 3 50098.52 49770.77 969.28 o
3 1 3 247713.08 253166.44 4747.24 o
5 1 3 96.83 432.11 382.16 o
7 1 3 160392.36 166564.78 2857.20 o
9 1 3 6971.73 8075.84 420.23 o
11 1 3 22252.35 22541.10 772.21 o
13 1 3 34516.28 32257.83 658.86 o
0 2 3 51499.85 50898.46 918.89 o
2 2 3 211991.48 219375.00 8540.35 o
4 2 3 71747.11 72624.78 972.67 o
6 2 3 66230.81 70016.95 646.77 o
8 2 3 84119.88 83601.00 1782.06 o
10 2 3 15898.28 15891.54 407.06 o
12 2 3 48402.66 46776.20 680.07 o
1 3 3 972.62 1017.71 464.34 o
3 3 3 27934.36 28259.21 787.92 o
5 3 3 21789.69 22353.53 503.43 o
7 3 3 22288.40 22271.89 656.05 o
9 3 3 3480.53 3328.11 428.65 o
11 3 3 120.90 673.80 494.41 o
13 3 3 2344.92 1423.19 954.37 o
0 4 3 3847.27 3061.29 710.53 o
2 4 3 91818.54 89913.09 3629.32 o
4 4 3 2753.19 3363.13 450.14 o
6 4 3 7443.09 7461.39 412.97 o
8 4 3 34919.21 35708.13 807.01 o
10 4 3 1051.53 867.99 468.66 o
12 4 3 25923.69 24835.46 1141.54 o
1 5 3 82462.09 78787.21 2957.30 o
3 5 3 37937.74 36456.69 1620.84 o
5 5 3 89347.80 89476.75 1275.10 o
7 5 3 20848.80 21868.21 500.01 o
9 5 3 44161.34 45270.62 988.33 o
11 5 3 20950.74 20165.81 783.17 o
0 6 3 24622.23 23666.96 785.17 o
2 6 3 34740.98 33777.18 931.50 o
4 6 3 1978.95 1969.51 448.56 o
6 6 3 3.88 147.49 480.03 o
8 6 3 11368.11 11960.14 526.52 o
10 6 3 10396.82 10250.30 618.19 o
1 7 3 0.36 368.58 523.44 o
3 7 3 421.55 482.69 489.53 o
5 7 3 159.08 236.96 499.97 o
7 7 3 179.93 576.24 495.42 o
9 7 3 0.94 168.04 560.35 o
0 8 3 78708.43 76165.20 1130.65 o
2 8 3 582.71 765.47 460.21 o
4 8 3 35063.90 35734.35 1435.17 o
6 8 3 18676.22 19506.79 587.97 o
8 8 3 1712.78 1922.57 652.51 o
1 9 3 27.66 -95.50 611.30 o
3 9 3 5338.27 6101.52 533.53 o
5 9 3 1599.84 1813.08 606.64 o
7 9 3 4363.89 4128.35 740.08 o
0 10 3 278.08 -631.53 1009.55 o
2 10 3 13618.52 13790.79 835.02 o
4 10 3 482.69 -41.59 815.52 o
0 0 4 1228382.75 1113776.75 18326.88 o
2 0 4 21801.22 21742.93 933.85 o
4 0 4 333181.00 338428.84 15748.68 o
6 0 4 188415.98 194568.94 5211.32 o
8 0 4 3925.77 4760.97 570.63 o
10 0 4 353371.84 343841.41 3003.40 o
12 0 4 8586.09 6945.93 750.07 o
1 1 4 3962.37 3740.61 441.41 o
3 1 4 74132.02 74398.41 1789.40 o
5 1 4 53496.29 52005.33 1347.48 o
7 1 4 43746.58 44809.27 1201.34 o
9 1 4 928.50 1124.73 613.11 o
11 1 4 1241.91 978.01 451.88 o
13 1 4 19568.58 16470.30 1270.68 o
0 2 4 19754.83 18650.27 701.82 o
2 2 4 4765.60 4738.16 390.09 o
4 2 4 797.77 1113.98 314.92 o
6 2 4 5749.84 6032.41 403.27 o
8 2 4 7238.87 7647.81 357.28 o
10 2 4 9159.36 9126.08 486.67 o
12 2 4 1106.44 1795.42 539.40 o
1 3 4 224730.02 212109.48 7631.05 o
3 3 4 5989.10 5844.09 394.79 o
5 3 4 492624.13 512205.44 11897.64 o
7 3 4 6921.75 7163.00 367.60 o
9 3 4 107160.11 107566.23 2292.34 o
11 3 4 52469.88 52156.01 1550.71 o
0 4 4 145184.31 129683.05 4281.51 o
2 4 4 183932.00 175910.38 8206.80 o
4 4 4 6216.09 7105.49 439.46 o
6 4 4 865.98 1527.06 347.89 o
8 4 4 85811.92 85772.65 2017.94 o
10 4 4 50108.00 49271.18 1511.64 o
12 4 4 60976.63 59266.99 2269.09 o
1 5 4 6937.44 6805.86 523.81 o
3 5 4 1080.42 1322.22 432.77 o
5 5 4 17047.16 16660.73 431.84 o
7 5 4 140.36 169.82 428.09 o
9 5 4 1034.78 1385.90 407.39 o
11 5 4 6496.46 5570.20 647.37 o
0 6 4 151259.92 139084.23 4506.17 o
2 6 4 866.86 1103.42 390.12 o
4 6 4 42342.20 42788.79 1334.31 o
6 6 4 39449.63 38506.28 652.49 o
8 6 4 1190.91 1102.76 420.94 o
10 6 4 67244.29 67766.30 1419.49 o
1 7 4 2057.50 2733.96 631.25 o
3 7 4 131605.80 127298.65 2437.44 o
5 7 4 80825.74 82001.79 1544.55 o
7 7 4 110211.07 110126.41 2359.57 o
9 7 4 4057.00 3752.81 664.17 o
0 8 4 44690.09 41290.62 982.38 o
2 8 4 5849.61 5667.39 595.70 o
4 8 4 9100.05 9607.49 655.10 o
6 8 4 7964.20 8634.95 687.88 o
8 8 4 3627.87 3292.33 715.03 o
1 9 4 3202.34 2675.08 639.58 o
3 9 4 1781.07 1953.56 566.40 o
5 9 4 10360.50 10790.21 687.79 o
7 9 4 549.50 421.92 710.72 o
0 10 4 35167.33 35312.57 1302.68 o
2 10 4 58387.25 60001.41 1782.55 o
4 10 4 790.59 1191.02 796.01 o
1 1 5 21622.83 20278.88 414.22 o
3 1 5 12862.71 11846.58 376.23 o
5 1 5 73969.76 76337.63 1316.19 o
7 1 5 14818.32 14759.55 386.71 o
9 1 5 14912.70 15568.45 373.49 o
11 1 5 631.46 506.29 550.03 o
13 1 5 1574.99 1063.08 695.07 o
0 2 5 3798.92 3868.03 469.14 o
2 2 5 23395.19 21549.01 485.35 o
4 2 5 126.40 3.47 432.22 o
6 2 5 1216.42 1503.11 448.02 o
8 2 5 10023.81 10802.96 436.49 o
10 2 5 501.38 676.30 420.13 o
12 2 5 8663.73 6803.84 603.06 o
1 3 5 20571.77 19813.13 648.59 o
3 3 5 1619.97 2007.61 408.02 o
5 3 5 53741.55 55968.70 1233.60 o
7 3 5 2797.75 3175.82 385.50 o
9 3 5 15795.73 16292.50 433.14 o
11 3 5 2389.03 2333.11 513.18 o
0 4 5 120527.79 110564.97 4389.60 o
2 4 5 492.49 664.39 452.94 o
4 4 5 47288.65 48649.82 1063.45 o
6 4 5 24173.46 24035.18 718.08 o
8 4 5 994.14 1493.71 411.90 o
10 4 5 38903.75 38435.23 1141.46 o
12 4 5 74.28 710.55 640.60 o
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3 5 5 5233.12 5244.67 502.70 o
5 5 5 29519.64 29472.77 727.42 o
7 5 5 2549.17 2500.35 465.72 o
9 5 5 14730.67 14702.84 620.78 o
11 5 5 5360.32 4846.18 585.03 o
0 6 5 89779.43 80654.82 879.65 o
2 6 5 509.85 895.87 397.27 o
4 6 5 33070.14 32366.10 966.46 o
6 6 5 16071.08 15611.02 470.82 o
8 6 5 87.79 1039.32 549.59 o
10 6 5 36911.89 35736.52 1357.50 o
1 7 5 34655.05 33407.86 709.66 o
3 7 5 26820.23 26318.30 493.32 o
5 7 5 29911.67 30237.98 778.73 o
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0 8 5 58112.66 58156.36 1496.21 o
2 8 5 171.81 639.91 738.51 o
4 8 5 25573.81 25793.33 639.78 o
6 8 5 13174.07 12720.86 676.63 o
8 8 5 982.96 969.29 688.75 o
1 9 5 15354.94 16005.15 896.09 o
3 9 5 2627.77 1877.72 993.45 o
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0 10 5 5363.86 5119.03 1187.23 o
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1 1 6 15740.07 14071.33 302.71 o
3 1 6 75704.15 72594.01 1521.07 o
5 1 6 112390.49 110473.59 1666.95 o
7 1 6 51379.42 50994.25 1230.25 o
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11 1 6 4391.21 3671.42 491.18 o
0 2 6 225585.53 202932.44 5922.05 o
2 2 6 211034.55 197228.28 3872.29 o
4 2 6 16395.89 16518.02 626.27 o
6 2 6 4059.54 4339.13 326.84 o
8 2 6 90744.67 91378.64 1939.07 o
10 2 6 82576.53 78433.73 2246.03 o
12 2 6 66633.48 63108.84 1761.00 o
1 3 6 34728.97 32832.71 1014.73 o
3 3 6 119720.91 121510.75 3469.19 o
5 3 6 4959.91 5806.68 323.99 o
7 3 6 73522.81 72626.94 1751.40 o
9 3 6 19973.38 20362.11 500.81 o
11 3 6 7468.91 6458.57 644.28 o
0 4 6 45208.28 43214.80 2501.71 o
2 4 6 4457.59 4764.12 433.84 o
4 4 6 7220.54 7727.07 392.90 o
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1 5 6 2873.28 3511.37 398.86 o
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7 5 6 118618.15 121918.59 3956.07 o
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4 6 6 692.60 561.63 472.67 o
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