#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/75/2017580.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_2017580_Fobs
loop_
_publ_author_name
'Pavlyuk, Volodymyr'
'Rozycka-Sokolowska, Ewa'
'Marciniak, Bernard'
_publ_section_title
;
 The new ternary phases of La~3~(Zn~0.874~Mg~0.126~)~11~ and
 Ce~3~(Zn~0.863~Mg~0.137~)~11~
;
_journal_coeditor_code           SQ3225
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              i25
_journal_page_last               i28
_journal_volume                  66
_journal_year                    2010
_space_group_IT_number           71
_symmetry_space_group_name_Hall  '-I 2 2'
_symmetry_space_group_name_H-M   'I m m m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   4.5641
_cell_length_b                   8.9542
_cell_length_c                   13.7261
_exptl_crystal_F_000             480.00
_reflns_d_resolution_high        0.7705
_[local]_cod_data_source_file    sq3225IIsup3.hkl
_[local]_cod_data_source_block   II
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' ce20mg20zn60 in Immm'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            718.87
_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, y, -z'
'x, -y, -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+1/2'
'x+1/2, -y+1/2, -z+1/2'
'-x, -y, -z'
'x, y, -z'
'x, -y, z'
'-x, y, 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+1/2'
'-x+1/2, y+1/2, 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
2 0 0 516777.09 492017.63 49552.48 o
4 0 0 197874.95 185238.36 1045.62 o
1 1 0 12477.25 13254.12 111.26 o
3 1 0 6497.34 6107.58 232.83 o
5 1 0 3867.72 3579.98 220.79 o
0 2 0 2308.96 2676.71 258.89 o
2 2 0 1609.02 1818.11 58.20 o
4 2 0 1442.77 1598.34 150.60 o
1 3 0 191718.41 194086.72 1373.26 o
3 3 0 100450.74 99044.44 1025.91 o
5 3 0 42197.52 42655.25 438.31 o
0 4 0 62217.84 66867.50 704.74 o
2 4 0 43990.11 43769.50 583.64 o
4 4 0 21414.55 20939.90 285.41 o
1 5 0 25439.06 26406.34 206.10 o
3 5 0 15676.71 14956.10 287.56 o
5 5 0 7661.79 7191.70 826.98 o
0 6 0 73615.51 78555.26 623.42 o
2 6 0 55560.94 54475.56 363.03 o
4 6 0 27945.04 27838.48 915.39 o
1 7 0 15775.31 15965.31 442.90 o
3 7 0 11283.05 11490.64 209.92 o
0 8 0 51676.59 52345.92 618.71 o
2 8 0 41552.35 41623.77 384.19 o
4 8 0 23427.61 22782.58 577.80 o
1 9 0 957.52 895.70 156.04 o
3 9 0 975.80 675.96 167.33 o
0 10 0 11180.64 11368.61 912.98 o
2 10 0 9279.61 9399.78 271.47 o
1 11 0 52876.30 53274.31 572.20 o
1 0 1 786.68 828.23 77.89 o
3 0 1 338.05 443.15 117.88 o
5 0 1 120.99 144.44 228.96 o
2 1 1 465.81 499.20 47.89 o
4 1 1 222.50 219.62 98.73 o
1 2 1 1015.74 987.89 39.77 o
3 2 1 278.00 240.03 58.61 o
5 2 1 20.41 85.15 169.22 o
0 3 1 1119.40 1269.75 69.78 o
2 3 1 660.03 602.96 41.82 o
4 3 1 199.22 213.74 93.86 o
1 4 1 49477.10 48730.01 145.92 o
3 4 1 24648.98 24765.64 219.17 o
5 4 1 8418.06 8139.17 403.44 o
0 5 1 25462.86 26773.02 240.19 o
2 5 1 17775.02 17433.63 184.16 o
4 5 1 7204.97 6873.63 292.30 o
1 6 1 3677.34 3873.71 100.30 o
3 6 1 2102.59 2060.22 92.62 o
5 6 1 903.77 176.03 506.67 o
0 7 1 22919.10 23487.57 386.67 o
2 7 1 17097.96 16928.96 157.62 o
4 7 1 8016.14 7401.99 351.56 o
1 8 1 473.66 566.69 96.81 o
3 8 1 187.86 151.47 96.46 o
0 9 1 3323.04 3615.94 200.47 o
2 9 1 2635.30 2485.39 120.46 o
1 10 1 2196.58 2300.28 177.99 o
3 10 1 1390.25 1212.89 141.29 o
0 11 1 756.83 491.48 244.88 o
2 0 2 6925.94 7079.97 232.69 o
4 0 2 4012.76 4221.61 246.79 o
1 1 2 298.44 379.16 65.29 o
3 1 2 260.66 417.55 94.14 o
5 1 2 292.97 563.69 179.21 o
0 2 2 400.87 508.77 52.98 o
2 2 2 333.19 508.07 118.49 o
4 2 2 330.50 414.86 134.35 o
1 3 2 59906.99 59846.64 197.95 o
3 3 2 30115.10 29510.98 176.73 o
5 3 2 11317.53 10582.30 251.22 o
0 4 2 85.15 122.10 60.04 o
2 4 2 16.82 75.91 58.98 o
4 4 2 39.71 135.60 173.81 o
1 5 2 875.24 1008.84 63.25 o
3 5 2 782.55 932.35 74.53 o
5 5 2 641.80 674.43 260.76 o
0 6 2 448.58 539.17 130.18 o
2 6 2 509.01 666.22 65.53 o
4 6 2 602.73 810.73 230.69 o
1 7 2 4491.84 4536.33 111.45 o
3 7 2 2955.84 3129.64 115.59 o
0 8 2 10129.78 10502.98 239.46 o
2 8 2 8166.74 8119.51 141.51 o
4 8 2 4686.85 3999.62 286.03 o
1 9 2 2985.14 3249.59 132.94 o
3 9 2 2114.46 1789.49 142.46 o
0 10 2 31.66 133.96 178.85 o
2 10 2 5.63 62.75 178.77 o
1 11 2 6021.56 5946.44 309.04 o
1 0 3 50368.87 50308.52 585.52 o
3 0 3 25112.20 25118.57 735.69 o
5 0 3 11011.38 11942.68 379.24 o
0 1 3 6964.29 7024.98 182.97 o
2 1 3 4837.48 4838.47 83.56 o
4 1 3 3153.85 3438.67 181.23 o
1 2 3 185291.94 185660.20 2075.68 o
3 2 3 90779.37 87523.75 599.57 o
5 2 3 34042.88 34127.94 376.57 o
0 3 3 98924.05 97319.52 910.79 o
2 3 3 67974.40 66850.05 246.35 o
4 3 3 30697.38 29940.96 313.73 o
1 4 3 1668.93 1577.05 69.21 o
3 4 3 554.70 512.07 82.80 o
5 4 3 38.89 123.11 255.64 o
0 5 3 66477.29 65320.45 689.86 o
2 5 3 50377.81 49811.21 244.44 o
4 5 3 26340.70 27622.32 1162.98 o
1 6 3 71816.07 70520.68 277.90 o
3 6 3 43645.66 44688.93 370.36 o
0 7 3 7081.87 7317.83 202.48 o
2 7 3 4777.03 4947.56 109.90 o
4 7 3 1675.88 1742.30 222.58 o
1 8 3 54315.23 54821.18 317.70 o
3 8 3 34258.66 35045.30 295.69 o
0 9 3 34015.66 35236.03 431.73 o
2 9 3 27684.77 27932.82 250.29 o
1 10 3 38.43 112.59 130.23 o
0 11 3 5080.24 5015.14 516.72 o
0 0 4 617.65 765.07 152.82 o
2 0 4 485.96 432.95 138.34 o
4 0 4 144.58 654.26 209.08 o
1 1 4 70822.42 69732.30 467.10 o
3 1 4 35617.88 34970.39 522.49 o
5 1 4 14118.70 14319.00 313.47 o
0 2 4 113576.79 112863.00 2097.28 o
2 2 4 76849.18 77166.49 660.07 o
4 2 4 33444.82 34759.53 611.70 o
1 3 4 12830.90 12353.42 339.70 o
3 3 4 5340.84 5061.89 108.48 o
5 3 4 1091.84 869.27 174.85 o
0 4 4 28529.94 28404.21 319.49 o
2 4 4 20539.40 20243.43 150.17 o
4 4 4 9732.55 9931.16 424.38 o
1 5 4 43742.76 43639.07 250.27 o
3 5 4 25346.38 25202.89 208.71 o
5 5 4 10761.74 10047.04 399.86 o
0 6 4 27729.25 27726.05 489.54 o
2 6 4 20936.53 20756.98 189.97 o
4 6 4 10291.22 9688.27 359.07 o
1 7 4 1700.86 1748.43 90.60 o
3 7 4 1397.22 1350.34 123.49 o
0 8 4 294.13 371.08 150.79 o
2 8 4 306.53 475.84 113.33 o
4 8 4 279.90 202.21 268.38 o
1 9 4 14652.66 14935.63 243.08 o
3 9 4 10044.11 10058.71 270.84 o
0 10 4 12988.48 13861.76 329.51 o
2 10 4 10507.28 10858.99 403.30 o
1 11 4 750.36 367.55 200.05 o
1 0 5 38786.68 38835.98 462.87 o
3 0 5 20554.56 20816.68 428.42 o
5 0 5 8639.56 8699.21 402.20 o
0 1 5 11398.85 10845.63 167.05 o
2 1 5 7957.16 7993.01 150.98 o
4 1 5 3913.06 4070.03 178.24 o
1 2 5 1146.51 1109.02 68.02 o
3 2 5 219.26 217.64 85.52 o
5 2 5 15.27 -10.09 500.83 o
0 3 5 14496.42 13886.30 459.74 o
2 3 5 10909.19 11209.33 122.56 o
4 3 5 5971.11 6074.46 193.86 o
1 4 5 1047.26 1047.05 76.84 o
3 4 5 980.69 1116.98 90.53 o
5 4 5 838.81 672.92 194.32 o
0 5 5 17135.24 17181.05 470.05 o
2 5 5 12898.24 12835.64 165.22 o
4 5 5 6500.01 6149.10 219.49 o
1 6 5 7076.56 7236.44 204.02 o
3 6 5 4847.10 4679.79 122.25 o
0 7 5 3476.64 3120.78 126.86 o
2 7 5 2975.47 2991.82 120.54 o
4 7 5 1983.56 1935.23 348.57 o
1 8 5 1293.96 1157.29 118.52 o
3 8 5 1237.84 1233.34 138.99 o
0 9 5 3014.47 2746.93 282.99 o
2 9 5 2604.99 2499.96 182.29 o
1 10 5 2138.75 2219.77 207.03 o
0 11 5 10568.46 10215.76 513.40 o
0 0 6 231275.81 241727.44 2819.33 o
2 0 6 157660.89 157343.97 719.59 o
4 0 6 64325.26 66027.58 995.05 o
1 1 6 1021.61 1035.96 82.96 o
3 1 6 415.12 414.17 103.95 o
5 1 6 73.35 319.34 245.69 o
0 2 6 1700.31 1634.34 172.40 o
2 2 6 1129.59 1108.48 86.66 o
4 2 6 322.92 251.99 143.09 o
1 3 6 36179.41 34686.34 377.44 o
3 3 6 20881.96 20710.44 214.20 o
5 3 6 9074.50 9796.45 278.92 o
0 4 6 2565.83 2522.06 132.69 o
2 4 6 1904.14 1934.30 101.91 o
4 4 6 944.44 971.96 154.87 o
1 5 6 3743.10 3840.12 95.39 o
3 5 6 2264.29 2213.99 106.87 o
0 6 6 20002.05 20099.81 423.02 o
2 6 6 15037.29 15181.27 224.59 o
4 6 6 7164.08 7269.37 305.88 o
1 7 6 150.77 307.11 102.44 o
3 7 6 39.86 132.43 126.42 o
0 8 6 11089.84 10982.47 354.08 o
2 8 6 8888.52 9057.19 202.62 o
1 9 6 362.76 404.81 165.59 o
3 9 6 184.91 384.06 250.54 o
0 10 6 334.68 157.63 267.12 o
2 10 6 258.23 232.12 277.98 o
1 0 7 50407.08 46779.79 671.15 o
3 0 7 29670.87 30763.14 557.26 o
5 0 7 13815.75 14382.81 475.28 o
0 1 7 47520.57 46120.74 543.18 o
2 1 7 35410.17 34358.35 191.86 o
4 1 7 18785.37 19921.60 538.32 o
1 2 7 24288.41 24794.24 330.52 o
3 2 7 14344.31 13829.48 218.76 o
5 2 7 6550.02 5892.25 377.88 o
0 3 7 39532.38 39183.69 855.51 o
2 3 7 29935.17 29433.28 474.15 o
4 3 7 15698.84 15241.09 255.77 o
1 4 7 148560.41 145044.11 744.49 o
3 4 7 87575.30 88103.29 363.17 o
5 4 7 37874.77 40139.38 958.96 o
0 5 7 229.37 112.98 123.99 o
2 5 7 44.19 242.22 106.50 o
4 5 7 62.41 151.17 195.81 o
1 6 7 3811.83 3782.52 130.87 o
3 6 7 3020.62 3021.90 132.11 o
0 7 7 90056.47 90837.56 796.50 o
2 7 7 71644.13 73030.43 598.97 o
4 7 7 39228.64 40053.90 567.84 o
1 8 7 14165.99 14613.92 426.98 o
3 8 7 9535.04 9604.17 224.23 o
0 9 7 1119.46 1001.00 335.78 o
2 9 7 1051.28 1190.80 193.44 o
1 10 7 21829.82 22134.80 373.49 o
0 0 8 15872.57 16383.33 370.75 o
2 0 8 10557.06 10556.60 229.12 o
4 0 8 3567.54 3216.58 444.69 o
1 1 8 843.24 804.30 98.27 o
3 1 8 590.72 612.28 116.97 o
5 1 8 364.72 543.03 212.58 o
0 2 8 9145.77 8236.06 239.91 o
2 2 8 6887.60 7094.06 172.11 o
4 2 8 3497.57 3439.27 172.55 o
1 3 8 3616.81 3826.44 142.42 o
3 3 8 2040.43 1836.38 141.64 o
5 3 8 853.28 231.46 196.80 o
0 4 8 5056.20 4737.88 199.17 o
2 4 8 3452.83 3319.62 131.18 o
4 4 8 1224.00 1122.66 164.22 o
1 5 8 3311.98 3155.13 115.79 o
3 5 8 2286.71 2390.38 131.58 o
0 6 8 238.70 501.35 148.22 o
2 6 8 265.30 474.21 119.34 o
4 6 8 297.54 439.74 226.37 o
1 7 8 113.20 264.80 122.07 o
3 7 8 53.07 107.23 217.11 o
0 8 8 1392.71 1201.88 393.27 o
2 8 8 1171.36 1182.89 147.27 o
1 9 8 6558.34 6056.00 237.68 o
0 10 8 431.50 229.17 264.73 o
1 0 9 2873.81 2530.39 158.20 o
3 0 9 1447.55 1477.91 186.86 o
5 0 9 448.47 140.84 322.13 o
0 1 9 14665.81 15200.48 363.17 o
2 1 9 10790.02 11468.71 237.40 o
4 1 9 5061.78 5362.40 206.86 o
1 2 9 2824.44 2796.65 151.20 o
3 2 9 1200.21 1068.87 117.73 o
5 2 9 234.45 117.72 302.91 o
0 3 9 7330.12 7267.11 168.07 o
2 3 9 5152.98 5204.82 169.85 o
4 3 9 2017.03 2195.10 183.46 o
1 4 9 11133.63 10825.98 310.78 o
3 4 9 7071.45 6914.04 175.59 o
0 5 9 268.95 354.27 154.69 o
2 5 9 203.94 329.52 121.57 o
4 5 9 104.31 244.07 249.15 o
1 6 9 1543.38 1507.79 130.74 o
3 6 9 822.21 651.17 133.04 o
0 7 9 13247.82 12584.03 383.85 o
2 7 9 10647.25 10477.43 195.70 o
1 8 9 3971.24 3919.59 207.71 o
3 8 9 2222.24 2093.16 184.70 o
0 9 9 0.15 255.27 559.06 o
2 9 9 1.02 10.91 308.14 o
0 0 10 1639.66 1858.76 182.65 o
2 0 10 1443.53 1670.35 193.23 o
4 0 10 1030.64 947.96 216.06 o
1 1 10 60716.03 57779.82 1020.55 o
3 1 10 38039.71 39408.94 300.15 o
0 2 10 77545.11 76366.07 495.48 o
2 2 10 60286.20 60570.35 356.54 o
4 2 10 31883.62 33958.37 371.60 o
1 3 10 324.37 606.22 128.66 o
3 3 10 13.11 46.08 133.57 o
0 4 10 36978.88 37968.73 416.91 o
2 4 10 29390.83 29766.01 463.42 o
4 4 10 16115.50 16588.10 349.54 o
1 5 10 36932.61 37214.04 449.45 o
3 5 10 24305.71 24658.46 503.71 o
0 6 10 26454.05 25404.96 399.31 o
2 6 10 21356.74 21295.57 405.44 o
1 7 10 9110.92 8873.51 204.25 o
3 7 10 6733.94 6533.76 402.58 o
0 8 10 2595.79 2171.46 287.25 o
2 8 10 2319.81 2056.25 171.93 o
1 9 10 16598.27 16579.54 436.37 o
1 0 11 1524.09 1828.97 180.40 o
3 0 11 750.86 860.11 204.80 o
0 1 11 1967.08 2015.91 149.67 o
2 1 11 1643.17 1595.15 140.65 o
4 1 11 1008.31 1080.03 189.58 o
1 2 11 32856.07 31521.48 508.77 o
3 2 11 19321.73 19558.17 383.84 o
0 3 11 701.98 879.52 231.91 o
2 3 11 563.01 467.52 132.02 o
4 3 11 300.41 226.45 196.43 o
1 4 11 184.26 213.31 118.19 o
3 4 11 122.22 149.41 137.04 o
0 5 11 4263.00 3672.52 220.98 o
2 5 11 3548.49 3455.77 148.52 o
1 6 11 3955.21 3246.58 172.23 o
3 6 11 2612.14 2457.69 167.60 o
0 7 11 325.10 237.14 269.25 o
2 7 11 247.68 214.14 173.25 o
1 8 11 3836.08 3591.63 230.70 o
0 9 11 4106.95 4354.88 393.98 o
0 0 12 4995.74 5294.07 300.64 o
2 0 12 3318.14 3277.67 422.81 o
4 0 12 1037.20 1169.51 356.04 o
1 1 12 9580.43 9143.88 188.06 o
3 1 12 6436.70 6103.06 219.59 o
0 2 12 3152.22 3639.33 237.54 o
2 2 12 2665.60 2601.90 181.91 o
4 2 12 1728.84 1308.85 211.04 o
1 3 12 1139.12 1314.09 168.48 o
3 3 12 815.38 510.47 151.94 o
0 4 12 10295.34 10000.56 400.20 o
2 4 12 8545.78 8368.83 186.29 o
1 5 12 68.96 80.77 146.80 o
3 5 12 116.75 91.87 238.84 o
0 6 12 422.13 579.29 264.23 o
2 6 12 242.61 314.45 158.90 o
1 7 12 15357.04 15395.50 342.31 o
0 8 12 250.57 397.60 293.99 o
1 0 13 3533.12 4244.13 404.34 o
3 0 13 2585.63 2392.35 357.09 o
0 1 13 11673.95 12564.74 664.71 o
2 1 13 9622.63 9376.05 297.46 o
4 1 13 5700.68 5078.17 312.97 o
1 2 13 8923.74 9580.61 310.27 o
3 2 13 5766.87 5762.17 215.01 o
0 3 13 4165.78 4271.71 354.04 o
2 3 13 3450.67 3361.10 162.89 o
1 4 13 35930.00 36293.53 755.68 o
3 4 13 23535.31 22626.88 543.12 o
0 5 13 95.61 167.07 215.09 o
2 5 13 40.03 -3.87 184.95 o
1 6 13 530.83 408.58 177.48 o
0 7 13 22582.25 23717.40 978.87 o
0 0 14 52003.15 58314.90 720.26 o
2 0 14 41343.41 42800.70 602.30 o
1 1 14 6565.01 7236.47 300.55 o
3 1 14 4676.18 4296.82 279.10 o
0 2 14 1529.49 1339.19 404.80 o
2 2 14 1373.61 874.03 209.31 o
1 3 14 10775.74 10992.17 328.92 o
3 3 14 7792.20 6873.71 242.22 o
0 4 14 20298.95 20677.18 773.47 o
2 4 14 16587.15 15862.46 666.48 o
1 5 14 3342.98 3132.19 217.04 o
0 6 14 7320.16 7501.82 735.66 o
2 6 14 6049.25 5609.14 220.53 o
1 0 15 1645.06 1789.32 406.42 o
3 0 15 924.24 690.39 494.36 o
0 1 15 7527.74 8372.71 432.14 o
2 1 15 6152.45 6469.97 588.12 o
1 2 15 1442.33 1331.14 186.60 o
3 2 15 1213.25 538.49 278.44 o
0 3 15 1330.08 1499.09 233.84 o
2 3 15 957.60 735.41 199.47 o
1 4 15 1365.13 1112.89 163.99 o
0 5 15 4624.13 4112.11 293.19 o
0 0 16 191.96 182.62 367.31 o
2 0 16 183.83 -16.72 440.59 o
1 1 16 3066.82 3430.88 320.02 o
0 2 16 1834.92 1482.56 246.02 o
2 2 16 1477.99 1086.48 329.07 o
1 3 16 3279.02 3668.53 205.78 o
0 4 16 4203.60 3987.03 286.10 o
1 0 17 4372.89 4981.92 485.35 o
0 1 17 6895.88 7286.68 510.00 o
1 2 17 23708.39 27243.98 577.44 o
0 3 17 8677.80 9879.60 460.40 o