#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/74/2207461.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_2207461_Fobs
loop_
_publ_author_name
'Tursina, Anna I.'
'Bukhan'ko, Natalia G.'
'Gribanov, Alexandr V.'
'Shchelkunov, Viktor A.'
'Nelyubina, Yuliya V.'
_publ_section_title
;
 A new ternary aluminide, CePt~3~Al~5~
;
_journal_coeditor_code           BT6790
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i285
_journal_page_last               i286
_journal_volume                  61
_journal_year                    2005
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   20.6512
_cell_length_b                   4.1381
_cell_length_c                   7.2842
_exptl_crystal_F_000             1428.00
_reflns_d_resolution_high        0.6615
_[local]_cod_data_source_file    bt6790Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' c in Pnma'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            1054.26
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z'
'x+1/2, -y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z'
'-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 0 136.67 464.74 308.11 o
4 0 0 4077.65 3813.17 213.48 o
6 0 0 354870.56 404754.63 3282.27 o
8 0 0 1456.38 2898.12 236.05 o
10 0 0 8249.82 8480.63 324.05 o
12 0 0 159718.47 168689.44 2656.09 o
14 0 0 156766.13 168232.30 2843.27 o
16 0 0 6084.33 6076.27 383.22 o
18 0 0 145665.84 165114.02 3231.56 o
20 0 0 32577.35 36319.24 1093.17 o
22 0 0 1190.12 1884.63 402.74 o
24 0 0 2065.60 1444.48 411.48 o
26 0 0 28431.19 29170.85 893.66 o
28 0 0 567.56 -1133.87 1133.87 o
30 0 0 718.45 1173.49 555.77 o
2 1 0 49486.09 51540.02 2770.16 o
4 1 0 323535.66 331807.38 8535.91 o
6 1 0 50754.27 49069.67 3782.59 o
8 1 0 129989.19 96133.58 30020.90 o
10 1 0 501114.69 444287.53 72528.54 o
12 1 0 25205.66 27641.14 703.53 o
14 1 0 516.54 585.11 230.74 o
16 1 0 182982.84 194233.80 12740.60 o
18 1 0 3888.72 4370.56 334.37 o
20 1 0 29196.63 30834.14 875.86 o
22 1 0 168070.52 184562.45 12553.05 o
24 1 0 2888.62 4353.09 787.05 o
26 1 0 511.25 33.64 685.71 o
28 1 0 55767.32 56160.64 3566.60 o
30 1 0 1683.85 2432.26 384.79 o
0 2 0 1111458.88 756523.25 50219.17 o
2 2 0 53.17 -296.04 296.04 o
4 2 0 2610.27 2429.17 457.71 o
6 2 0 244631.27 227627.70 36090.15 o
8 2 0 954.29 2134.58 185.38 o
10 2 0 6365.73 6770.80 1190.08 o
12 2 0 122626.97 124919.47 7790.22 o
14 2 0 120211.66 127284.52 6791.39 o
16 2 0 4725.01 5186.04 291.27 o
18 2 0 119002.66 128664.70 4174.26 o
20 2 0 27225.40 26531.89 3554.13 o
22 2 0 1160.40 1232.51 396.38 o
24 2 0 1640.10 2842.43 329.52 o
26 2 0 24491.06 25541.03 652.48 o
28 2 0 469.65 248.91 448.94 o
2 3 0 25852.51 26433.12 553.31 o
4 3 0 168545.39 174464.89 7896.36 o
6 3 0 24164.43 26162.51 538.86 o
8 3 0 70406.41 60635.29 13028.75 o
10 3 0 295407.91 295891.38 40836.72 o
12 3 0 15931.64 16468.30 1706.63 o
14 3 0 292.61 -453.83 589.26 o
16 3 0 119353.83 124456.27 4855.45 o
18 3 0 2560.77 2706.00 486.48 o
20 3 0 20540.32 21638.00 881.72 o
22 3 0 122412.04 126415.77 11358.53 o
24 3 0 2008.78 2356.06 448.49 o
26 3 0 309.78 -791.53 791.53 o
0 4 0 498836.88 423851.91 3591.59 o
2 4 0 3.12 -309.30 470.83 o
4 4 0 1159.39 1424.98 367.47 o
6 4 0 123402.28 126051.03 2047.78 o
8 4 0 529.33 653.20 436.18 o
10 4 0 4502.98 4754.18 340.40 o
12 4 0 69136.95 70227.81 1515.43 o
14 4 0 64416.27 62969.36 1366.85 o
16 4 0 2502.45 2820.00 367.92 o
18 4 0 71888.46 73760.04 1531.45 o
20 4 0 17182.86 16606.76 599.44 o
22 4 0 1044.30 241.83 518.20 o
24 4 0 867.96 52.99 916.75 o
2 5 0 11563.60 12629.70 580.60 o
4 5 0 80332.92 83000.61 2334.82 o
6 5 0 9179.02 10207.37 628.36 o
8 5 0 31297.70 29770.67 918.91 o
10 5 0 144166.88 139867.27 3703.91 o
12 5 0 8582.93 8884.93 695.40 o
14 5 0 122.27 380.19 1219.70 o
16 5 0 61358.34 59901.00 1801.93 o
18 5 0 1327.54 784.78 1290.76 o
0 6 0 208854.03 176540.88 4303.81 o
2 6 0 11.26 86.01 1157.73 o
4 6 0 544.05 447.35 1109.76 o
6 6 0 58628.99 55718.90 1736.50 o
8 6 0 272.39 1190.51 1238.69 o
1 0 1 1438.78 1635.92 122.65 o
2 0 1 162.35 192.75 261.58 o
3 0 1 475.45 435.66 306.51 o
4 0 1 7113.04 6813.45 198.60 o
5 0 1 13.23 -91.17 356.10 o
6 0 1 64326.04 63441.92 1102.30 o
7 0 1 101065.88 102804.99 1525.09 o
8 0 1 54042.97 52948.79 1172.49 o
9 0 1 60380.76 62744.82 1363.58 o
10 0 1 4901.63 4334.23 253.94 o
11 0 1 11294.98 10451.23 336.69 o
12 0 1 31395.98 30517.06 888.40 o
13 0 1 14147.17 14134.87 406.38 o
14 0 1 168.77 418.06 258.06 o
15 0 1 106836.55 107347.74 2398.41 o
16 0 1 32663.71 32718.59 952.88 o
17 0 1 921.71 903.57 320.12 o
18 0 1 73644.80 80678.44 2281.05 o
19 0 1 22894.63 23763.19 728.74 o
20 0 1 3672.29 4071.85 417.01 o
21 0 1 10060.03 10500.66 518.38 o
22 0 1 1246.66 1216.86 390.70 o
23 0 1 1454.84 576.63 924.32 o
24 0 1 100806.38 116692.21 3301.16 o
25 0 1 55324.71 58297.83 1686.48 o
26 0 1 117.32 -1131.97 1131.97 o
27 0 1 36287.97 37757.70 1153.84 o
28 0 1 5562.58 4419.45 692.91 o
29 0 1 23898.88 24441.13 917.56 o
30 0 1 7742.27 7030.20 748.55 o
31 0 1 15895.52 16638.20 843.93 o
0 1 1 1812.35 1625.07 113.65 o
1 1 1 1071.94 770.49 108.66 o
2 1 1 47468.75 44649.23 588.99 o
3 1 1 102501.88 98585.34 1687.45 o
4 1 1 64488.26 62954.14 1323.82 o
5 1 1 89959.64 87172.03 1620.49 o
6 1 1 21634.82 21870.92 1074.24 o
7 1 1 619.30 876.12 432.04 o
8 1 1 52162.67 52629.89 4805.25 o
9 1 1 28157.49 26861.38 557.00 o
10 1 1 5788.19 5535.05 505.43 o
11 1 1 3373.95 2933.92 437.15 o
12 1 1 9614.89 8696.18 676.99 o
13 1 1 5857.46 6025.96 235.40 o
14 1 1 77571.04 79540.83 3563.36 o
15 1 1 55475.00 57168.45 1160.05 o
16 1 1 7221.21 7679.85 398.92 o
17 1 1 788.97 844.21 278.55 o
18 1 1 6189.42 5594.84 316.91 o
19 1 1 66214.29 68453.10 2688.05 o
20 1 1 3943.74 3202.74 379.13 o
21 1 1 26963.96 28282.21 615.08 o
22 1 1 15082.84 16184.06 826.60 o
23 1 1 1255.58 653.77 666.81 o
24 1 1 11545.68 10794.79 513.23 o
25 1 1 33907.58 35454.48 772.58 o
26 1 1 1263.92 -212.83 805.53 o
27 1 1 278.63 -603.43 1133.75 o
28 1 1 52243.23 56148.40 4233.00 o
29 1 1 7474.66 7332.63 526.05 o
30 1 1 4388.27 4338.79 439.53 o
1 2 1 975.69 1801.91 882.36 o
2 2 1 112.45 253.83 238.32 o
3 2 1 294.65 172.21 431.03 o
4 2 1 4630.09 4564.82 173.27 o
5 2 1 12.57 189.13 387.06 o
6 2 1 43831.64 39880.57 3866.97 o
7 2 1 69106.92 64469.75 9476.86 o
8 2 1 37705.20 40420.71 2720.64 o
9 2 1 43669.29 46862.45 958.82 o
10 2 1 3388.52 4299.53 388.74 o
11 2 1 8348.87 7922.15 546.32 o
12 2 1 24249.98 24330.75 2564.72 o
13 2 1 11417.99 12001.03 455.26 o
14 2 1 181.12 45.20 408.01 o
15 2 1 84735.69 89018.80 6187.61 o
16 2 1 26105.64 27445.54 2545.10 o
17 2 1 820.83 147.84 520.42 o
18 2 1 60441.17 64398.32 2548.51 o
19 2 1 19177.97 20523.69 471.97 o
20 2 1 3032.21 3001.30 494.34 o
21 2 1 8867.65 9249.71 816.63 o
22 2 1 1150.11 -269.33 661.04 o
23 2 1 1210.50 1482.31 431.30 o
24 2 1 84762.05 86973.25 4616.73 o
25 2 1 47531.50 49924.02 2713.38 o
26 2 1 93.35 406.40 732.15 o
27 2 1 31184.92 33874.65 1251.17 o
28 2 1 4864.86 3984.34 712.51 o
29 2 1 20545.75 22667.19 654.82 o
0 3 1 727.91 1015.63 164.25 o
1 3 1 787.74 757.11 351.09 o
2 3 1 25148.12 25156.87 562.48 o
3 3 1 54508.76 56679.34 1089.54 o
4 3 1 33461.90 34584.75 707.32 o
5 3 1 47498.11 49276.22 3260.47 o
6 3 1 12061.20 13893.57 475.38 o
7 3 1 396.11 621.77 200.50 o
8 3 1 29415.04 29770.86 2187.37 o
9 3 1 16708.37 17937.42 426.85 o
10 3 1 3117.99 3132.32 594.42 o
11 3 1 2213.53 2696.53 263.47 o
12 3 1 6140.08 6667.98 322.60 o
13 3 1 3494.74 3749.25 844.29 o
14 3 1 50000.87 52032.18 5673.40 o
15 3 1 36412.69 36028.84 1155.25 o
16 3 1 4899.10 5363.03 692.13 o
17 3 1 424.57 3089.01 1243.09 o
18 3 1 3812.63 4127.35 1427.43 o
19 3 1 44759.93 44995.65 5430.33 o
20 3 1 2773.16 2364.04 818.85 o
21 3 1 18887.56 16604.19 3343.73 o
22 3 1 10801.94 10448.28 1415.36 o
23 3 1 952.04 1217.59 408.76 o
24 3 1 8099.08 8366.76 793.58 o
25 3 1 25030.20 24072.49 3615.18 o
26 3 1 938.47 1390.80 511.16 o
27 3 1 193.84 29.34 693.69 o
1 4 1 518.41 1552.46 713.21 o
2 4 1 47.49 375.12 425.92 o
3 4 1 182.07 660.80 283.43 o
4 4 1 2107.20 2096.06 241.19 o
5 4 1 7.32 93.66 494.74 o
6 4 1 22177.83 22428.50 513.37 o
7 4 1 34255.16 35009.32 740.82 o
8 4 1 18656.11 19979.16 448.51 o
9 4 1 22359.42 23205.05 583.54 o
10 4 1 1531.29 2158.38 293.53 o
11 4 1 4586.64 4465.95 336.95 o
12 4 1 13499.79 13357.47 436.78 o
13 4 1 7210.52 7392.48 385.92 o
14 4 1 243.42 294.04 666.08 o
15 4 1 49047.50 50180.61 1099.47 o
16 4 1 15114.40 15503.08 1777.70 o
17 4 1 625.76 327.09 762.67 o
18 4 1 37051.31 37613.87 2628.34 o
19 4 1 12326.54 12732.75 792.23 o
20 4 1 1825.69 1808.54 566.29 o
21 4 1 6374.80 7409.47 469.71 o
22 4 1 921.65 1688.24 456.82 o
23 4 1 724.99 276.04 852.31 o
0 5 1 296.66 779.36 932.48 o
1 5 1 484.47 880.93 400.89 o
2 5 1 12218.22 11217.07 568.63 o
3 5 1 27144.79 26832.27 789.13 o
4 5 1 16037.60 15871.59 683.67 o
5 5 1 22541.81 22831.00 779.02 o
6 5 1 6089.33 5388.18 582.79 o
7 5 1 241.03 923.85 1016.75 o
8 5 1 13294.35 14226.13 696.70 o
9 5 1 7967.52 7741.50 653.90 o
10 5 1 1301.80 -686.70 1337.27 o
11 5 1 1314.73 1270.14 1246.05 o
12 5 1 3284.91 285.90 1413.99 o
13 5 1 1545.47 1402.77 1351.13 o
14 5 1 25837.90 25726.47 1010.24 o
15 5 1 19156.63 18153.06 942.03 o
16 5 1 2677.06 2742.86 745.55 o
17 5 1 140.91 0.00 1458.83 o
18 5 1 1680.19 1330.50 702.25 o
1 6 1 239.99 -1150.93 1298.89 o
2 6 1 17.34 -1137.09 1137.09 o
3 6 1 129.04 0.00 1113.04 o
4 6 1 902.79 788.11 1312.95 o
5 6 1 4.35 1156.00 548.76 o
6 6 1 10565.98 9213.61 771.68 o
7 6 1 15533.07 14677.43 826.56 o
8 6 1 8130.48 7032.47 762.41 o
0 0 2 3617.54 4373.21 228.35 o
1 0 2 29495.75 32258.48 768.87 o
2 0 2 801.41 -12.06 365.12 o
3 0 2 320122.84 358974.09 2584.84 o
4 0 2 559.19 -127.39 333.96 o
5 0 2 63758.38 66434.49 1117.72 o
6 0 2 2597.43 3141.30 186.30 o
7 0 2 30193.32 31614.41 881.87 o
8 0 2 4973.80 4295.82 224.64 o
9 0 2 550226.81 607255.19 4633.08 o
10 0 2 2836.77 2694.68 218.95 o
11 0 2 3710.14 3730.90 229.41 o
12 0 2 4216.13 3904.06 267.40 o
13 0 2 1225.30 1311.85 239.30 o
14 0 2 1030.43 1001.80 251.31 o
15 0 2 82676.51 82732.60 2067.69 o
16 0 2 14829.17 14823.98 490.72 o
17 0 2 13394.11 13671.34 495.38 o
18 0 2 6416.32 6526.48 395.18 o
19 0 2 8668.32 8606.94 450.81 o
20 0 2 900.16 247.82 724.52 o
21 0 2 6475.33 7279.88 483.02 o
22 0 2 16785.19 17342.45 646.16 o
23 0 2 97475.93 102067.00 3054.16 o
24 0 2 6266.87 5935.66 548.38 o
25 0 2 1262.06 734.90 1029.20 o
26 0 2 988.81 910.34 480.12 o
27 0 2 3806.27 3011.12 566.74 o
28 0 2 9830.96 10907.90 655.96 o
29 0 2 16637.60 16946.36 828.72 o
30 0 2 7930.86 7404.79 729.61 o
1 1 2 247300.88 242372.69 9110.61 o
2 1 2 194.69 905.27 338.96 o
3 1 2 95841.63 92507.16 3882.04 o
4 1 2 635.96 325.38 247.72 o
5 1 2 99799.34 85788.68 3438.28 o
6 1 2 4069.58 3654.74 139.48 o
7 1 2 178844.25 175710.28 11313.78 o
8 1 2 4880.36 4772.33 161.54 o
9 1 2 1428.44 1581.34 141.91 o
10 1 2 301.91 279.89 184.68 o
11 1 2 19937.21 19503.46 682.50 o
12 1 2 9260.11 8770.17 788.20 o
13 1 2 220882.50 216882.80 18378.20 o
14 1 2 6053.09 5891.92 744.00 o
15 1 2 5041.43 5140.54 252.71 o
16 1 2 62.12 0.00 429.44 o
17 1 2 2753.26 2819.62 269.59 o
18 1 2 11479.71 11494.62 704.84 o
19 1 2 176005.36 170673.02 11891.51 o
20 1 2 5724.18 5152.97 1309.83 o
21 1 2 11340.21 11917.99 1042.31 o
22 1 2 4264.35 3993.17 536.80 o
23 1 2 6910.28 6947.72 358.61 o
24 1 2 7689.60 7617.09 914.44 o
25 1 2 41734.61 40735.07 3472.34 o
26 1 2 10479.32 10232.14 2159.42 o
27 1 2 99.48 496.20 654.36 o
28 1 2 3655.25 3083.75 412.80 o
29 1 2 24563.46 26690.45 3106.76 o
30 1 2 4716.14 3472.71 873.54 o
0 2 2 2466.39 3071.17 160.72 o
1 2 2 19824.87 21487.91 817.40 o
2 2 2 529.77 625.39 262.44 o
3 2 2 222668.45 239605.27 1944.43 o
4 2 2 395.90 619.33 212.51 o
5 2 2 42158.26 41707.57 812.98 o
6 2 2 1877.21 1962.99 254.93 o
7 2 2 21583.36 23152.60 485.93 o
8 2 2 3614.40 3875.69 191.98 o
9 2 2 404767.34 428159.13 3679.45 o
10 2 2 2139.44 2171.08 192.75 o
11 2 2 2780.11 2784.33 203.66 o
12 2 2 3300.47 3705.46 257.64 o
13 2 2 988.61 1331.62 902.74 o
14 2 2 829.12 1235.81 284.29 o
15 2 2 65488.55 66421.86 1285.51 o
16 2 2 11791.29 13235.82 497.33 o
17 2 2 10838.87 11414.26 366.45 o
18 2 2 5307.85 5175.62 309.27 o
19 2 2 7421.26 7349.41 346.19 o
20 2 2 748.92 427.11 768.33 o
21 2 2 5506.69 5725.64 1036.16 o
22 2 2 14127.54 14631.67 810.38 o
23 2 2 82170.70 86552.72 1837.55 o
24 2 2 5318.28 5676.26 417.96 o
25 2 2 1094.90 1276.59 369.88 o
26 2 2 803.12 712.23 771.24 o
27 2 2 3385.63 3481.49 415.19 o
28 2 2 8559.34 9570.48 517.29 o
29 2 2 14730.41 14997.59 601.28 o
1 3 2 130632.82 134968.98 1971.20 o
2 3 2 112.07 303.73 383.49 o
3 3 2 48458.32 53171.33 1982.90 o
4 3 2 374.44 322.84 381.00 o
5 3 2 53994.23 57099.23 1352.56 o
6 3 2 2302.03 2582.74 279.89 o
7 3 2 102433.54 76506.95 22749.56 o
8 3 2 2801.74 1943.12 728.71 o
9 3 2 932.55 494.14 217.87 o
10 3 2 220.35 130.40 426.41 o
11 3 2 12101.15 9114.59 3649.88 o
12 3 2 5905.13 4838.83 1996.67 o
13 3 2 146065.42 115865.78 38030.63 o
14 3 2 3971.98 3537.68 918.50 o
15 3 2 2991.23 3467.84 288.45 o
16 3 2 58.03 341.66 586.32 o
17 3 2 1616.06 1272.63 430.35 o
18 3 2 7839.73 7795.07 386.01 o
19 3 2 125238.70 129101.57 3927.90 o
20 3 2 4155.41 4335.59 388.81 o
21 3 2 8936.52 10113.55 1179.71 o
22 3 2 2992.37 3395.00 389.35 o
23 3 2 5120.34 5978.64 435.75 o
24 3 2 5605.26 5143.30 592.06 o
25 3 2 30684.24 31863.19 738.39 o
26 3 2 7821.28 9453.46 510.30 o
0 4 2 1276.74 1609.72 254.86 o
1 4 2 10454.47 10207.67 359.01 o
2 4 2 243.41 155.83 535.65 o
3 4 2 113714.78 114810.64 2369.55 o
4 4 2 216.49 527.85 272.70 o
5 4 2 19404.10 19234.03 420.82 o
6 4 2 995.69 1196.67 253.01 o
7 4 2 10854.59 11810.09 371.23 o
8 4 2 1866.42 1972.39 485.49 o
9 4 2 211619.09 215229.30 4878.09 o
10 4 2 1163.17 1490.38 289.66 o
11 4 2 1448.63 654.39 675.64 o
12 4 2 1889.92 2341.43 422.64 o
13 4 2 644.95 1065.71 638.59 o
14 4 2 504.97 626.89 324.33 o
15 4 2 37062.21 36036.35 1644.15 o
16 4 2 6670.13 6993.03 731.21 o
17 4 2 6390.90 7697.12 451.16 o
18 4 2 3298.21 3802.53 418.33 o
19 4 2 4968.45 5268.18 675.53 o
20 4 2 462.75 417.46 473.92 o
21 4 2 3586.91 4509.18 1200.49 o
22 4 2 8902.38 8636.14 717.79 o
23 4 2 51885.34 55793.18 2866.39 o
1 5 2 61096.85 56907.35 1723.03 o
2 5 2 55.12 0.00 1235.16 o
3 5 2 20070.45 20233.24 833.73 o
4 5 2 198.89 -225.37 1085.55 o
5 5 2 24117.81 25603.43 807.16 o
6 5 2 1052.72 848.41 1146.13 o
7 5 2 46941.24 45989.96 1417.55 o
8 5 2 1302.10 590.33 1382.02 o
9 5 2 534.65 906.74 653.82 o
10 5 2 153.57 858.45 1421.00 o
11 5 2 5795.34 4837.05 760.21 o
12 5 2 3089.19 4158.95 745.68 o
13 5 2 79918.69 84748.14 2784.63 o
14 5 2 2086.41 1635.42 1628.53 o
15 5 2 1223.27 1307.93 1667.61 o
16 5 2 52.31 -963.35 1494.91 o
17 5 2 636.59 -366.49 1603.61 o
0 6 2 650.00 -1699.97 1699.97 o
1 6 2 5486.44 6052.70 766.93 o
2 6 2 104.28 101.50 1531.07 o
3 6 2 54536.63 50023.65 1629.04 o
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