#------------------------------------------------------------------------------
#$Date: 2016-04-02 23:01:28 +0300 (Sat, 02 Apr 2016) $
#$Revision: 180903 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/43/2104304.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_2104304_Fobs
loop_
_publ_author_name
'Daszkiewicz, Marek'
'Gulay, Lubomir D.'
'Lychmanyuk, Olga S.'
_publ_section_title
;
 Ln~3~<i>M</i>~1{-~\d}<i>TX</i>~7~ -- quasi-isostructural compounds:
 stereochemistry and silver-ion motion in the Ln~3~Ag~1{-~\d}GeS~7~ (Ln
 = La--Nd, Sm, Gd--Er and Y; \d = 0.11--0.50) compounds
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              126
_journal_page_last               133
_journal_volume                  65
_journal_year                    2009
_space_group_IT_number           173
_symmetry_space_group_name_Hall  'P 6c'
_symmetry_space_group_name_H-M   'P 63'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   10.3902
_cell_length_b                   10.3902
_cell_length_c                   5.8425
_exptl_crystal_F_000             730.00
_reflns_d_resolution_high        0.8001
_cod_data_source_file            bp5017cesup3.hkl
_cod_data_source_block           ce
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' ce in P6(3)'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            311.90
_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, z+1/2'
'y, -x+y, z+1/2'
'x-y, x, z+1/2'
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 -7 2785.35 2777.34 90.74 o
-1 2 -7 1670.12 1585.03 94.71 o
0 2 -7 3975.71 3810.49 102.12 o
-2 3 -7 40.61 101.23 52.09 o
-1 3 -7 219.33 219.59 56.02 o
0 3 -7 1451.54 1345.53 94.79 o
0 0 -6 12219.60 12208.64 309.31 o
0 1 -6 1843.19 1751.67 64.48 o
-1 2 -6 7804.28 7765.89 97.24 o
0 2 -6 5517.93 5353.23 83.48 o
-2 3 -6 11641.41 10992.00 170.22 o
-1 3 -6 565.10 585.92 68.12 o
0 3 -6 1110.45 1138.04 67.26 o
-3 4 -6 7361.74 6819.57 98.35 o
-1 4 -6 4196.17 4369.52 89.71 o
0 4 -6 1104.90 1198.61 73.08 o
-4 5 -6 3647.36 3757.50 92.54 o
-3 5 -6 696.89 723.41 71.75 o
-2 5 -6 922.09 985.24 70.84 o
-1 5 -6 1819.04 1904.14 80.29 o
0 5 -6 135.25 158.22 53.89 o
-5 6 -6 3275.79 3235.70 101.18 o
-4 6 -6 841.60 799.34 73.24 o
-3 6 -6 8492.58 8628.16 157.18 o
-2 6 -6 1370.70 1372.85 79.72 o
-1 6 -6 14864.51 14369.05 176.36 o
0 6 -6 1204.08 1206.95 87.12 o
-5 7 -6 4222.14 3844.17 102.06 o
-4 7 -6 4216.31 3917.78 108.51 o
-3 7 -6 2089.72 2227.68 92.69 o
-2 7 -6 629.48 660.17 70.18 o
0 1 -5 6278.64 6006.85 79.57 o
-1 2 -5 4274.65 4104.42 86.89 o
0 2 -5 4929.60 4644.44 60.14 o
-2 3 -5 2348.62 2278.72 54.10 o
-1 3 -5 1775.60 1685.68 51.02 o
0 3 -5 5103.60 4643.99 93.99 o
-3 4 -5 745.01 677.08 49.03 o
-2 4 -5 328.40 319.44 41.69 o
-1 4 -5 25314.58 24703.30 295.45 o
0 4 -5 2.72 70.17 32.56 o
-4 5 -5 14582.52 14038.68 127.05 o
-3 5 -5 470.30 484.61 55.59 o
-2 5 -5 8560.92 8175.26 114.63 o
-1 5 -5 435.29 490.13 61.30 o
0 5 -5 1353.99 1240.94 65.14 o
-5 6 -5 3779.69 3760.50 86.54 o
-4 6 -5 354.70 346.19 47.61 o
-3 6 -5 9892.37 9902.28 121.07 o
-2 6 -5 1435.03 1348.89 76.24 o
-1 6 -5 2632.16 2531.76 87.22 o
0 6 -5 3166.61 3025.39 88.63 o
-6 7 -5 21883.66 22284.15 274.68 o
-5 7 -5 595.75 565.56 57.42 o
-4 7 -5 2071.71 2096.71 79.03 o
-3 7 -5 4789.70 4600.40 90.73 o
-2 7 -5 1065.29 1014.32 67.59 o
-1 7 -5 417.78 354.10 54.48 o
0 7 -5 1597.65 1492.80 87.96 o
-7 8 -5 80.78 113.16 48.06 o
-6 8 -5 3031.78 2969.52 94.18 o
-5 8 -5 1191.72 1134.61 77.87 o
-4 8 -5 2746.93 2674.77 90.85 o
-3 8 -5 14827.19 14995.73 172.17 o
-2 8 -5 10500.97 10468.96 111.68 o
-1 8 -5 5611.79 5726.91 104.24 o
0 8 -5 225.61 184.85 49.00 o
-7 9 -5 6606.97 6575.40 154.61 o
-6 9 -5 463.11 433.26 64.80 o
-5 9 -5 4342.42 4347.06 99.90 o
-4 9 -5 2068.14 2063.27 95.26 o
-3 9 -5 101.84 155.42 51.13 o
-2 9 -5 191.88 228.36 61.43 o
0 0 -4 79897.92 74334.55 1932.36 o
0 1 -4 1426.47 1293.06 33.47 o
-1 2 -4 8123.00 7916.02 100.12 o
0 2 -4 5276.70 5058.28 48.36 o
-2 3 -4 12442.75 11595.44 149.37 o
-1 3 -4 1513.57 1491.77 39.13 o
0 3 -4 2238.78 2220.96 40.22 o
-3 4 -4 31481.01 30038.38 281.22 o
-2 4 -4 10257.04 9672.54 112.80 o
-1 4 -4 7681.99 7405.80 68.21 o
0 4 -4 4833.99 4688.75 58.73 o
-4 5 -4 5415.98 5286.91 63.08 o
-3 5 -4 1408.20 1322.03 48.20 o
-2 5 -4 4960.41 4766.01 63.22 o
-1 5 -4 716.69 656.54 39.35 o
0 5 -4 437.43 433.44 41.95 o
-5 6 -4 1347.16 1314.43 56.05 o
-4 6 -4 645.38 613.11 44.57 o
-3 6 -4 2248.10 2166.00 56.89 o
-2 6 -4 340.58 348.54 46.42 o
-1 6 -4 22464.51 21897.42 149.89 o
0 6 -4 1427.08 1443.10 58.95 o
-6 7 -4 6605.52 6497.32 81.69 o
-5 7 -4 7431.89 7104.65 87.94 o
-4 7 -4 7296.50 7201.32 88.35 o
-3 7 -4 5640.68 5422.79 79.11 o
-2 7 -4 375.65 319.83 51.12 o
-1 7 -4 1598.98 1580.93 77.54 o
0 7 -4 2021.86 1959.78 73.10 o
-7 8 -4 377.32 383.09 50.55 o
-6 8 -4 538.87 541.90 71.27 o
-5 8 -4 7594.27 7436.11 139.75 o
-4 8 -4 3900.38 3904.48 93.00 o
-3 8 -4 3151.29 3074.02 79.19 o
-2 8 -4 2109.29 2029.07 80.53 o
-1 8 -4 1538.10 1617.94 73.33 o
0 8 -4 13720.15 13927.39 135.89 o
-8 9 -4 1207.42 1132.81 77.39 o
-7 9 -4 4307.85 4271.93 86.22 o
-6 9 -4 1043.78 924.54 75.47 o
-5 9 -4 5259.97 5082.92 102.95 o
-4 9 -4 1357.85 1294.50 77.11 o
-3 9 -4 6506.34 6542.87 98.42 o
-2 9 -4 1240.58 1143.51 71.09 o
-1 9 -4 448.76 401.59 55.09 o
0 9 -4 3297.92 3248.11 100.24 o
-8 10 -4 826.64 762.59 73.79 o
-7 10 -4 3640.31 3583.17 102.42 o
-6 10 -4 2863.10 2864.95 94.89 o
-5 10 -4 2563.22 2530.61 91.43 o
-4 10 -4 4991.79 4831.96 93.40 o
-3 10 -4 1486.83 1359.58 78.72 o
-2 10 -4 5192.99 5304.31 102.77 o
0 1 -3 4217.81 3979.40 33.75 o
-1 2 -3 6676.16 6405.35 64.74 o
0 2 -3 23856.97 22540.78 190.67 o
-2 3 -3 7390.97 6852.38 58.11 o
-1 3 -3 3163.69 3046.03 37.33 o
0 3 -3 7178.72 6785.89 54.22 o
-3 4 -3 2555.03 2470.22 36.45 o
-2 4 -3 737.22 700.47 28.43 o
-1 4 -3 29129.61 28140.99 220.68 o
0 4 -3 7098.85 6882.19 57.07 o
-4 5 -3 23451.53 23146.01 136.12 o
-3 5 -3 6405.45 6214.01 70.59 o
-2 5 -3 7393.79 7118.96 68.76 o
-1 5 -3 514.38 492.60 32.01 o
0 5 -3 12654.91 12379.69 86.07 o
-5 6 -3 2491.22 2431.35 55.07 o
-4 6 -3 3902.56 3870.51 54.39 o
-3 6 -3 17065.71 16717.40 158.68 o
-2 6 -3 3287.70 3206.35 56.42 o
-1 6 -3 1286.00 1300.52 47.01 o
0 6 -3 7013.58 6781.28 73.49 o
-6 7 -3 22796.07 22420.19 172.19 o
-5 7 -3 1069.04 1028.75 47.91 o
-4 7 -3 1887.65 1766.92 52.25 o
-3 7 -3 14499.79 14182.64 115.41 o
-2 7 -3 1320.37 1255.47 59.20 o
-1 7 -3 5481.29 5415.92 73.15 o
0 7 -3 10482.20 10228.83 95.62 o
-7 8 -3 129.33 180.69 46.17 o
-6 8 -3 1610.72 1591.04 66.71 o
-5 8 -3 1410.93 1367.33 64.47 o
-4 8 -3 5411.43 5245.89 77.24 o
-3 8 -3 14630.66 14278.18 128.49 o
-2 8 -3 8953.12 8997.56 112.93 o
-1 8 -3 12102.99 12067.82 138.71 o
0 8 -3 659.33 679.38 67.71 o
-8 9 -3 608.81 571.72 58.18 o
-7 9 -3 14214.79 14125.31 207.56 o
-6 9 -3 1267.48 1186.86 71.41 o
-5 9 -3 21242.77 20675.77 177.01 o
-4 9 -3 1329.74 1232.00 65.73 o
-3 9 -3 221.01 214.26 51.85 o
-2 9 -3 1068.79 1126.36 70.75 o
-1 9 -3 4581.69 4562.52 93.19 o
0 9 -3 922.93 844.73 69.90 o
-9 10 -3 1003.65 1051.63 76.22 o
-8 10 -3 3119.50 3041.65 82.99 o
-7 10 -3 693.68 642.95 71.59 o
-6 10 -3 2341.32 2112.46 85.39 o
-5 10 -3 1348.71 1368.92 76.62 o
-4 10 -3 898.51 863.18 78.02 o
-3 10 -3 754.34 732.92 71.16 o
-2 10 -3 16366.40 16946.97 144.32 o
-1 10 -3 1990.53 2035.04 92.85 o
0 10 -3 10101.12 9998.97 126.21 o
-9 11 -3 8358.25 8392.78 113.95 o
-8 11 -3 1138.67 1183.79 79.12 o
-7 11 -3 222.87 198.69 55.02 o
-6 11 -3 4544.55 4453.76 105.32 o
-5 11 -3 7505.00 7570.65 116.66 o
-4 11 -3 4824.71 4601.42 111.47 o
-3 11 -3 1283.76 1104.47 79.04 o
-2 11 -3 2889.50 2957.75 106.60 o
0 0 -2 97283.86 85784.64 3361.93 o
0 1 -2 13016.20 12980.24 187.31 o
-1 2 -2 6261.42 6040.56 79.15 o
0 2 -2 22900.96 21522.23 136.38 o
-2 3 -2 45528.26 43111.41 245.85 o
-1 3 -2 4503.68 4503.49 100.05 o
0 3 -2 1010.13 946.25 24.89 o
-3 4 -2 27427.44 26588.47 190.27 o
-2 4 -2 31682.47 30763.28 249.63 o
-1 4 -2 15266.07 14334.11 116.69 o
0 4 -2 5264.19 5110.10 53.07 o
-4 5 -2 638.98 602.31 29.39 o
-3 5 -2 4517.25 4248.29 38.56 o
-2 5 -2 4284.66 4039.70 37.11 o
-1 5 -2 675.98 687.16 27.69 o
0 5 -2 2516.40 2365.27 38.12 o
-5 6 -2 10313.01 10026.82 79.31 o
-4 6 -2 4853.79 4660.74 54.86 o
-3 6 -2 7319.82 6966.38 69.24 o
-2 6 -2 6284.26 5872.36 124.85 o
-1 6 -2 43608.57 42792.07 405.23 o
0 6 -2 303.05 370.71 38.30 o
-6 7 -2 4774.20 4632.52 72.53 o
-5 7 -2 28542.19 28199.36 194.65 o
-4 7 -2 13422.71 13157.97 105.46 o
-3 7 -2 6773.20 6505.30 76.13 o
-2 7 -2 857.48 813.86 49.47 o
-1 7 -2 1624.50 1632.28 53.81 o
0 7 -2 3263.13 3192.27 64.06 o
-7 8 -2 758.53 758.95 60.65 o
-6 8 -2 1516.59 1475.37 57.23 o
-5 8 -2 6827.46 6582.76 86.58 o
-4 8 -2 799.50 792.10 54.80 o
-3 8 -2 4092.70 4031.93 70.83 o
-2 8 -2 1787.75 1753.93 61.51 o
-1 8 -2 232.28 229.69 44.19 o
0 8 -2 17199.46 17206.98 204.46 o
-8 9 -2 6788.86 6501.92 109.32 o
-7 9 -2 2849.89 2465.13 83.05 o
-6 9 -2 306.07 332.62 57.35 o
-5 9 -2 3040.22 2931.62 75.14 o
-4 9 -2 1020.46 918.33 59.69 o
-3 9 -2 20086.86 20293.67 260.51 o
-2 9 -2 1739.45 1676.05 70.46 o
-1 9 -2 2134.08 2084.78 74.90 o
0 9 -2 6492.29 6286.24 110.06 o
-9 10 -2 1490.08 1472.40 79.24 o
-8 10 -2 4828.02 4781.77 111.39 o
-7 10 -2 8775.81 8302.09 131.35 o
-6 10 -2 2774.84 2737.50 92.60 o
-5 10 -2 453.40 441.81 80.37 o
-4 10 -2 12759.87 12437.94 239.31 o
-3 10 -2 5935.18 5750.80 105.55 o
-2 10 -2 3267.15 3242.93 93.02 o
-1 10 -2 2227.77 2127.83 90.78 o
0 10 -2 4960.38 4981.64 100.89 o
-10 11 -2 1847.52 1797.59 98.30 o
-9 11 -2 2093.05 1994.44 90.43 o
-8 11 -2 2971.43 2940.62 97.53 o
-7 11 -2 26336.05 26616.55 342.53 o
-6 11 -2 984.59 1005.08 97.11 o
-5 11 -2 3427.86 3374.02 102.06 o
-4 11 -2 2435.42 2490.20 105.64 o
-3 11 -2 1788.40 1652.26 88.09 o
-2 11 -2 684.59 646.24 79.91 o
-1 11 -2 687.07 709.60 74.78 o
-9 12 -2 1700.42 1595.67 116.59 o
-8 12 -2 933.55 881.23 99.12 o
-7 12 -2 693.63 649.19 89.75 o
-6 12 -2 716.76 625.34 80.37 o
-5 12 -2 1355.45 1332.89 94.95 o
-4 12 -2 937.42 845.47 94.18 o
-3 12 -2 2384.92 2368.44 120.78 o
0 1 -1 3225.06 3179.99 30.07 o
-1 2 -1 11485.58 11125.76 97.16 o
0 2 -1 41417.82 39112.04 427.10 o
-2 3 -1 3566.68 3564.88 30.72 o
-1 3 -1 2024.79 2161.42 29.22 o
0 3 -1 14070.88 14027.35 144.31 o
-3 4 -1 1837.73 1886.70 35.76 o
-2 4 -1 1133.85 1262.29 38.03 o
-1 4 -1 33067.81 32180.30 385.96 o
0 4 -1 7942.73 7873.28 68.09 o
-4 5 -1 34891.74 34037.54 230.10 o
-3 5 -1 11378.85 11002.54 69.35 o
-2 5 -1 7032.86 6859.06 69.96 o
-1 5 -1 602.27 601.01 30.81 o
0 5 -1 19097.47 18840.33 139.13 o
-5 6 -1 494.02 514.17 27.97 o
-4 6 -1 2537.53 2489.40 37.11 o
-3 6 -1 23511.61 23574.72 193.65 o
-2 6 -1 11391.15 11087.05 91.80 o
-1 6 -1 587.10 583.77 39.03 o
0 6 -1 8445.10 8334.57 84.95 o
-6 7 -1 22650.27 22320.91 204.45 o
-5 7 -1 1397.20 1327.83 43.91 o
-4 7 -1 10.67 51.04 21.33 o
-3 7 -1 26605.31 26308.96 261.27 o
-2 7 -1 2003.50 1959.92 54.57 o
-1 7 -1 8307.49 8407.12 106.52 o
0 7 -1 14780.21 14666.09 147.46 o
-7 8 -1 170.94 203.28 40.85 o
-6 8 -1 479.43 444.45 53.96 o
-5 8 -1 143.37 170.95 37.52 o
-4 8 -1 6690.94 6577.38 71.66 o
-3 8 -1 13502.43 13027.77 121.69 o
-2 8 -1 6944.90 6923.98 161.99 o
-1 8 -1 13964.03 14250.75 182.13 o
0 8 -1 1253.43 1290.29 69.83 o
-8 9 -1 833.68 976.24 79.26 o
-7 9 -1 24233.37 24222.20 246.30 o
-6 9 -1 1314.12 1308.06 63.11 o
-5 9 -1 25282.82 25464.50 212.43 o
-4 9 -1 102.52 111.69 41.13 o
-3 9 -1 249.64 269.26 53.92 o
-2 9 -1 1090.89 1215.76 76.05 o
-1 9 -1 4522.24 4441.52 93.48 o
0 9 -1 1226.01 1073.82 81.15 o
-9 10 -1 566.03 592.69 82.30 o
-8 10 -1 3861.43 3852.62 104.67 o
-7 10 -1 321.36 380.67 64.05 o
-6 10 -1 952.44 941.31 75.30 o
-5 10 -1 1867.41 1805.48 97.02 o
-4 10 -1 1379.30 1306.13 80.75 o
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-2 10 -1 20781.81 21213.25 307.26 o
-1 10 -1 341.24 374.40 66.33 o
0 10 -1 9837.96 9809.93 131.26 o
-10 11 -1 80.27 120.76 54.76 o
-9 11 -1 11965.90 12219.20 169.64 o
-8 11 -1 290.72 248.92 70.56 o
-7 11 -1 291.46 354.66 71.05 o
-6 11 -1 3364.74 3346.39 117.82 o
-5 11 -1 11679.40 11994.83 169.67 o
-4 11 -1 6108.09 6115.12 227.02 o
-3 11 -1 2764.88 2619.38 108.78 o
-2 11 -1 4746.09 4751.47 119.27 o
-1 11 -1 2689.23 2616.73 114.55 o
0 11 -1 1785.61 1887.16 120.26 o
-10 12 -1 175.92 181.20 91.11 o
-9 12 -1 3589.04 3567.49 137.13 o
-8 12 -1 42.93 95.31 63.87 o
-7 12 -1 1030.18 924.02 111.22 o
-6 12 -1 3710.48 3772.69 120.70 o
-5 12 -1 875.66 777.39 100.33 o
-4 12 -1 6148.12 6369.07 149.60 o
-3 12 -1 109.01 177.09 74.30 o
-2 12 -1 278.69 250.63 79.64 o
0 2 0 5971.39 5994.88 64.04 o
-2 3 0 33075.63 32620.70 342.46 o
0 3 0 6379.52 6234.94 57.92 o
-3 4 0 78452.55 75401.17 1398.61 o
-2 4 0 90263.96 86366.70 1527.82 o
-1 4 0 10630.23 10462.62 74.16 o
0 4 0 5690.49 5819.56 57.06 o
-4 5 0 908.55 967.00 34.72 o
-3 5 0 916.14 921.17 30.02 o
-2 5 0 5631.68 5536.33 60.75 o
-1 5 0 28535.20 28647.53 272.20 o
0 5 0 0.41 62.92 24.69 o
-5 6 0 20.72 56.67 27.11 o
-4 6 0 568.89 610.74 31.27 o
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0 6 0 3593.55 3741.00 63.02 o
-6 7 0 8627.40 8494.71 126.15 o
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-1 7 0 2257.50 2235.74 63.87 o
0 7 0 1406.47 1471.49 65.14 o
-7 8 0 4445.05 4510.41 80.64 o
-6 8 0 2.08 58.28 30.14 o
-5 8 0 14847.53 14983.79 121.83 o
-4 8 0 287.31 292.16 49.56 o
-3 8 0 3122.63 3093.32 70.29 o
-2 8 0 1417.05 1464.41 64.98 o
-1 8 0 1845.12 1988.66 76.29 o
0 8 0 25248.21 25881.37 302.58 o
-8 9 0 2665.33 2536.06 81.36 o
-7 9 0 4892.70 4807.94 80.51 o
-6 9 0 2308.89 2217.04 70.07 o
-5 9 0 6178.07 6087.27 94.05 o
-4 9 0 2399.13 2328.56 63.51 o
-3 9 0 36080.05 36422.41 446.44 o
-2 9 0 1284.19 1235.38 78.08 o
-1 9 0 390.21 352.71 54.40 o
0 9 0 21958.39 22194.91 354.04 o
-9 10 0 2328.56 2280.18 95.45 o
-8 10 0 1658.31 1656.79 78.00 o
-7 10 0 6790.58 6652.21 109.61 o
-6 10 0 5182.49 5224.60 103.24 o
-5 10 0 243.86 271.02 56.14 o
-4 10 0 9416.53 9124.97 161.37 o
-3 10 0 3052.59 2840.44 99.81 o
-2 10 0 257.87 262.14 72.33 o
-1 10 0 2646.41 2482.51 117.06 o
0 10 0 1004.94 931.20 109.08 o
-10 11 0 5999.11 5962.67 169.62 o
-9 11 0 3456.44 3415.72 117.45 o
-8 11 0 1183.36 1152.52 88.58 o
-7 11 0 42118.74 42564.14 535.13 o
-6 11 0 100.56 113.46 67.32 o
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-4 11 0 3120.76 3137.51 132.83 o
-3 11 0 3047.69 2877.16 126.48 o
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