#------------------------------------------------------------------------------
#$Date: 2012-01-03 14:54:16 +0200 (Tue, 03 Jan 2012) $
#$Revision: 31968 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/82/2018284.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_2018284_Fobs
loop_
_publ_author_name
'Chai, Ping'
'Corbett, John D.'
_publ_section_title
;
 Two new compounds, \b-ScTe and Y~3~Au~2~, and a reassessment of Y~2~Au
;
_journal_coeditor_code           FN3086
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              i53
_journal_page_last               i55
_journal_volume                  67
_journal_year                    2011
_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                   7.1154
_cell_length_b                   4.9330
_cell_length_c                   8.9077
_exptl_crystal_F_000             628.00
_reflns_d_resolution_high        0.8111
_[local]_cod_data_source_file    fn3086Y2Ausup4.hkl
_[local]_cod_data_source_block   Y2Au
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' Y2Au'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            473.95
_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 36412.71 37570.22 597.05 o
4 0 0 49728.16 49563.37 840.99 o
6 0 0 2968.38 3771.03 337.38 o
8 0 0 28768.55 32806.86 1443.57 o
2 1 0 24246.57 23511.57 362.83 o
4 1 0 2434.29 2305.68 176.29 o
6 1 0 1395.27 1427.38 195.77 o
8 1 0 1290.53 1605.88 274.39 o
0 2 0 224625.84 194678.89 4111.77 o
2 2 0 27582.83 26522.63 386.54 o
4 2 0 39741.99 37458.93 649.72 o
6 2 0 2597.26 2024.69 207.80 o
8 2 0 25243.58 26923.01 1044.13 o
2 3 0 13600.80 12802.15 238.70 o
4 3 0 1679.99 1744.86 229.86 o
6 3 0 993.91 1116.38 231.85 o
0 4 0 110254.81 112850.85 2287.22 o
2 4 0 15923.60 15419.28 472.07 o
4 4 0 23468.65 23199.71 787.50 o
6 4 0 1819.71 2304.81 449.70 o
2 5 0 6810.03 6633.23 359.69 o
4 5 0 987.92 1279.45 275.26 o
0 6 0 52805.99 57326.83 2070.36 o
1 0 1 0.07 46.84 22.59 o
2 0 1 2294.65 2407.58 73.65 o
3 0 1 10679.15 10464.96 185.41 o
4 0 1 5997.30 5790.02 141.39 o
5 0 1 4933.20 4848.72 265.64 o
6 0 1 925.18 534.19 194.74 o
7 0 1 3955.93 3748.80 344.76 o
8 0 1 1295.16 1317.73 263.18 o
0 1 1 13882.38 15313.08 247.72 o
1 1 1 21425.48 22133.29 259.93 o
2 1 1 71012.60 68159.51 649.85 o
3 1 1 42950.83 41643.27 442.02 o
4 1 1 196.57 306.56 51.47 o
5 1 1 51735.74 50968.86 618.23 o
6 1 1 13611.73 13189.61 306.12 o
7 1 1 10020.00 9826.46 413.41 o
8 1 1 2080.71 2165.80 214.35 o
1 2 1 0.03 -37.45 37.45 o
2 2 1 1650.62 1415.82 67.92 o
3 2 1 7840.60 6923.65 179.69 o
4 2 1 4714.27 4407.54 158.49 o
5 2 1 4045.96 3973.65 149.39 o
6 2 1 767.51 587.18 103.29 o
7 2 1 3459.43 3220.45 229.35 o
8 2 1 1122.05 886.96 284.12 o
0 3 1 8444.51 7833.00 335.95 o
1 3 1 12908.02 12173.66 202.22 o
2 3 1 41226.57 41130.61 487.32 o
3 3 1 27627.65 26644.44 399.95 o
4 3 1 203.42 188.10 128.72 o
5 3 1 36616.64 35797.36 592.19 o
6 3 1 9931.36 10102.10 365.89 o
7 3 1 7714.46 7758.07 422.52 o
1 4 1 0.34 -39.67 79.09 o
2 4 1 888.38 656.08 126.11 o
3 4 1 4173.79 4154.72 211.17 o
4 4 1 2749.35 2624.91 199.79 o
5 4 1 2501.27 2773.91 217.78 o
6 4 1 476.52 515.91 197.48 o
0 5 1 4584.60 4274.85 300.72 o
1 5 1 6650.10 6418.11 245.52 o
2 5 1 20672.51 20809.09 616.48 o
3 5 1 14954.48 15466.88 409.84 o
4 5 1 155.59 100.07 155.46 o
1 6 1 2.09 -86.35 147.65 o
0 0 2 6375.37 8139.94 332.28 o
1 0 2 30261.39 33073.07 782.10 o
2 0 2 26325.27 26616.16 458.79 o
3 0 2 76866.30 81598.64 968.54 o
4 0 2 546.95 671.33 83.55 o
5 0 2 42292.72 41628.13 757.95 o
6 0 2 2986.74 3280.77 237.61 o
7 0 2 27151.53 26922.28 831.20 o
8 0 2 616.74 744.74 387.43 o
1 1 2 19591.93 20446.65 236.25 o
2 1 2 2354.58 2370.74 83.83 o
3 1 2 696.97 688.22 46.19 o
4 1 2 3069.60 2871.18 121.62 o
5 1 2 91.99 128.41 70.73 o
6 1 2 951.49 909.19 103.83 o
7 1 2 13991.08 14654.46 377.47 o
8 1 2 150.54 57.53 143.00 o
0 2 2 4679.31 4574.25 137.87 o
1 2 2 22697.10 22134.24 256.95 o
2 2 2 19312.51 18861.46 288.60 o
3 2 2 59961.82 58082.51 570.63 o
4 2 2 389.76 376.06 92.85 o
5 2 2 35428.38 33803.94 469.02 o
6 2 2 2526.47 2212.26 160.67 o
7 2 2 23570.74 22862.30 521.40 o
8 2 2 552.99 188.30 263.29 o
1 3 2 10488.64 9931.41 170.76 o
2 3 2 1401.11 1272.55 99.20 o
3 3 2 413.04 425.28 98.10 o
4 3 2 2036.35 1981.53 178.34 o
5 3 2 49.99 85.65 132.89 o
6 3 2 688.99 548.89 153.40 o
7 3 2 10626.09 10186.29 524.81 o
0 4 2 2645.15 2640.47 166.87 o
1 4 2 12747.63 12614.50 249.86 o
2 4 2 10291.19 10128.56 274.49 o
3 4 2 34672.84 35839.26 778.91 o
4 4 2 196.54 -18.34 155.11 o
5 4 2 22878.03 23371.69 550.57 o
6 4 2 1629.54 1473.44 212.39 o
1 5 2 4991.23 5189.01 226.85 o
2 5 2 741.62 789.09 138.82 o
3 5 2 180.71 473.49 147.09 o
4 5 2 1121.51 753.77 197.95 o
1 0 3 13541.18 14110.14 358.94 o
2 0 3 15534.97 15502.75 402.69 o
3 0 3 5749.13 5791.55 142.54 o
4 0 3 5140.30 5305.16 209.23 o
5 0 3 5466.69 5234.44 235.17 o
6 0 3 23.19 146.43 113.39 o
7 0 3 1015.75 992.82 184.35 o
8 0 3 66.85 -5.87 197.36 o
0 1 3 138658.38 139643.45 2085.32 o
1 1 3 8636.71 9098.20 127.26 o
2 1 3 55464.82 57192.96 507.47 o
3 1 3 1534.45 1488.37 65.59 o
4 1 3 16573.17 16643.06 254.79 o
5 1 3 6965.51 6610.94 224.53 o
6 1 3 7443.79 7242.66 216.25 o
7 1 3 23.16 89.02 109.84 o
8 1 3 15918.35 16503.29 433.40 o
1 2 3 9664.50 9494.29 172.68 o
2 2 3 11690.58 11458.02 191.19 o
3 2 3 4350.65 4174.53 182.81 o
4 2 3 4197.21 4502.85 178.69 o
5 2 3 4505.11 4318.52 216.41 o
6 2 3 19.61 171.54 116.22 o
7 2 3 866.22 743.39 138.14 o
0 3 3 83342.40 88850.98 1140.76 o
1 3 3 5316.21 5458.26 164.34 o
2 3 3 35804.91 35028.51 439.05 o
3 3 3 1089.45 1210.16 131.42 o
4 3 3 11681.37 11140.23 339.63 o
5 3 3 4978.09 5020.84 250.18 o
6 3 3 5619.49 5293.00 323.61 o
7 3 3 23.22 68.75 165.03 o
1 4 3 4875.10 4955.46 173.08 o
2 4 3 6496.39 6727.43 247.16 o
3 4 3 2363.35 1842.92 215.20 o
4 4 3 2615.52 2089.27 277.88 o
5 4 3 2781.93 2932.95 273.87 o
6 4 3 12.32 25.69 160.22 o
0 5 3 43261.76 43694.93 936.94 o
1 5 3 2779.99 2863.04 184.85 o
2 5 3 19415.12 19243.98 1055.71 o
3 5 3 637.91 545.73 153.52 o
4 5 3 6684.21 6486.53 392.98 o
0 0 4 75153.40 82696.16 2287.48 o
1 0 4 6038.03 6277.58 345.96 o
2 0 4 28563.30 29779.67 584.95 o
3 0 4 15505.66 15577.60 367.85 o
4 0 4 20682.74 20817.03 341.87 o
5 0 4 35590.60 36668.38 940.37 o
6 0 4 6823.06 6552.30 286.02 o
7 0 4 2306.69 2133.41 288.80 o
8 0 4 10609.12 10328.89 529.01 o
1 1 4 2149.94 2232.85 82.49 o
2 1 4 3547.30 3514.73 101.56 o
3 1 4 17103.31 17690.66 227.76 o
4 1 4 1269.05 1191.42 94.12 o
5 1 4 6941.93 7053.21 231.67 o
6 1 4 513.88 561.56 99.29 o
7 1 4 889.43 857.45 138.09 o
8 1 4 20.97 121.10 128.91 o
0 2 4 57875.85 60861.27 868.75 o
1 2 4 4864.74 4734.45 135.03 o
2 2 4 22948.98 23500.88 311.47 o
3 2 4 12699.45 12169.32 259.70 o
4 2 4 17216.66 17128.36 301.94 o
5 2 4 30118.92 30662.01 500.00 o
6 2 4 5925.45 6129.78 312.41 o
7 2 4 2050.97 1696.35 207.81 o
1 3 4 1244.66 1220.02 97.16 o
2 3 4 2295.32 2355.34 127.75 o
3 3 4 11196.23 10839.11 291.49 o
4 3 4 911.94 993.17 142.49 o
5 3 4 4983.97 4871.39 369.20 o
6 3 4 384.42 174.91 160.02 o
0 4 4 32935.20 35787.56 800.84 o
1 4 4 2900.98 2748.81 147.40 o
2 4 4 13837.18 13638.49 296.75 o
3 4 4 7897.08 7503.51 353.03 o
4 4 4 10887.48 11238.82 400.56 o
5 4 4 19683.56 20307.45 659.07 o
1 5 4 573.16 430.47 121.86 o
2 5 4 1258.84 1387.53 202.25 o
3 5 4 6074.98 6193.55 291.71 o
1 0 5 10143.08 11498.25 364.22 o
2 0 5 3491.46 3268.06 199.15 o
3 0 5 401.68 330.76 169.83 o
4 0 5 12.70 33.28 91.72 o
5 0 5 2.33 54.14 142.29 o
6 0 5 3.94 -119.73 119.73 o
7 0 5 10646.96 11536.80 426.11 o
0 1 5 12338.29 13385.71 313.92 o
1 1 5 22103.91 22083.75 314.02 o
2 1 5 1921.37 1877.10 99.70 o
3 1 5 51937.69 54425.74 846.85 o
4 1 5 100.86 96.20 79.66 o
5 1 5 32506.49 33809.73 472.38 o
6 1 5 3085.68 3090.55 203.87 o
7 1 5 21478.93 21318.73 535.83 o
1 2 5 7867.57 7850.30 246.01 o
2 2 5 2785.77 2906.16 117.45 o
3 2 5 318.10 171.27 80.53 o
4 2 5 11.80 16.68 90.53 o
5 2 5 1.09 64.98 92.60 o
6 2 5 2.75 36.88 105.87 o
7 2 5 9336.30 9958.13 391.56 o
0 3 5 7886.38 8150.08 252.81 o
1 3 5 15336.08 15472.70 303.83 o
2 3 5 1237.21 1078.42 119.02 o
3 3 5 36738.63 37880.17 534.59 o
4 3 5 61.43 23.55 93.52 o
5 3 5 24507.07 23886.37 547.69 o
6 3 5 2320.01 2191.12 200.43 o
1 4 5 4500.13 4653.39 181.04 o
2 4 5 1678.89 1562.41 153.44 o
3 4 5 171.66 213.54 130.20 o
4 4 5 10.03 -121.07 121.07 o
5 4 5 0.10 -87.37 151.11 o
0 5 5 4214.33 4181.86 533.36 o
1 5 5 8674.85 9155.05 404.01 o
2 5 5 638.33 502.03 178.25 o
3 5 5 21319.85 22681.21 532.80 o
0 0 6 28078.29 29692.12 1018.60 o
1 0 6 16108.63 16257.34 482.09 o
2 0 6 60294.64 62368.57 1324.65 o
3 0 6 8957.14 7986.57 317.74 o
4 0 6 337.85 296.29 136.77 o
5 0 6 8209.21 8568.61 367.70 o
6 0 6 11051.98 11798.87 474.55 o
7 0 6 2936.49 3082.54 382.46 o
1 1 6 1295.60 1208.57 91.39 o
2 1 6 5125.18 4909.57 145.80 o
3 1 6 12.53 205.90 101.73 o
4 1 6 6541.85 6747.31 229.24 o
5 1 6 1170.06 1110.70 128.08 o
6 1 6 1058.55 1055.78 136.96 o
7 1 6 14.70 10.10 151.24 o
0 2 6 23400.06 25094.13 532.50 o
1 2 6 13333.29 13752.83 256.93 o
2 2 6 49892.60 51750.67 837.73 o
3 2 6 7589.31 7623.97 249.64 o
4 2 6 310.80 272.33 103.16 o
5 2 6 7105.06 7462.48 337.85 o
6 2 6 9625.43 9783.70 316.73 o
1 3 6 878.41 911.17 155.40 o
2 3 6 3667.20 3328.26 177.98 o
3 3 6 6.85 71.72 91.72 o
4 3 6 4825.87 5295.12 313.53 o
5 3 6 875.56 801.93 159.18 o
0 4 6 15057.99 16040.19 523.00 o
1 4 6 8394.16 8709.57 293.85 o
2 4 6 31336.39 32688.77 605.00 o
3 4 6 4975.36 5181.32 240.39 o
4 4 6 244.99 275.62 140.06 o
1 5 6 482.13 261.33 204.26 o
1 0 7 2037.22 2122.22 212.16 o
2 0 7 2970.60 2773.04 234.10 o
3 0 7 1627.49 1432.37 160.28 o
4 0 7 200.34 341.06 150.60 o
5 0 7 76.81 121.73 166.29 o
6 0 7 2044.01 2315.84 300.38 o
0 1 7 72104.79 75122.27 1260.43 o
1 1 7 1.56 85.24 72.87 o
2 1 7 10643.47 10262.99 248.17 o
3 1 7 4943.41 4709.66 213.78 o
4 1 7 29845.02 31562.48 601.33 o
5 1 7 7261.66 7219.37 393.60 o
6 1 7 3393.97 3471.28 311.51 o
1 2 7 1705.61 1727.43 111.47 o
2 2 7 2507.65 2798.90 185.76 o
3 2 7 1398.75 1525.78 161.92 o
4 2 7 179.15 325.25 129.21 o
5 2 7 68.10 73.71 118.66 o
6 2 7 1783.67 1766.03 255.97 o
0 3 7 51917.89 55833.68 1336.26 o
1 3 7 1.52 -124.07 199.19 o
2 3 7 8065.94 7619.12 292.51 o
3 3 7 3698.95 3360.76 229.00 o
4 3 7 22460.51 22732.63 547.60 o
5 3 7 5624.84 5967.10 360.29 o
1 4 7 1101.13 981.07 277.07 o
2 4 7 1631.29 1257.90 189.17 o
3 4 7 947.01 836.11 154.41 o
0 0 8 1718.49 1794.06 293.16 o
1 0 8 13538.47 12998.20 462.85 o
2 0 8 7953.73 7913.20 383.15 o
3 0 8 21517.32 21499.79 514.49 o
4 0 8 855.65 704.94 192.23 o
5 0 8 27968.48 28211.21 835.69 o
6 0 8 7167.24 7897.94 477.37 o
1 1 8 119.52 58.35 72.35 o
2 1 8 1773.00 1708.06 131.22 o
3 1 8 2888.38 2945.22 192.20 o
4 1 8 47.75 53.00 112.86 o
5 1 8 2806.46 2939.90 256.49 o
0 2 8 1435.07 1375.20 170.82 o
1 2 8 11643.68 11124.39 322.21 o
2 2 8 6796.25 6239.21 317.61 o
3 2 8 18728.08 18062.46 444.17 o
4 2 8 769.65 757.78 152.26 o
5 2 8 24634.50 26724.26 600.84 o
1 3 8 79.55 72.42 115.83 o
2 3 8 1330.82 1147.10 214.17 o
3 3 8 2164.73 1981.61 200.87 o
4 3 8 33.48 -108.71 136.70 o
0 4 8 893.17 983.66 489.97 o
1 4 8 7830.08 7983.83 445.69 o
1 0 9 1496.37 1283.27 206.95 o
2 0 9 2949.04 2766.70 208.10 o
3 0 9 4072.45 3800.96 426.78 o
4 0 9 2455.58 2313.25 271.41 o
5 0 9 227.23 81.62 331.91 o
0 1 9 12550.86 12550.27 377.83 o
1 1 9 13928.49 13388.30 308.82 o
2 1 9 14722.00 14798.56 383.14 o
3 1 9 13584.67 13505.74 372.08 o
4 1 9 80.84 219.26 140.68 o
1 2 9 1274.27 1152.76 156.86 o
2 2 9 2585.52 2331.36 194.39 o
3 2 9 3532.15 3528.46 412.84 o
4 2 9 2159.26 2117.18 206.06 o
0 3 9 9731.78 8728.35 849.79 o
1 3 9 10734.03 10189.88 417.68 o
2 3 9 11290.35 10734.33 370.82 o
0 0 10 23320.23 22716.03 671.85 o
1 0 10 1913.31 1741.03 213.80 o
2 0 10 16482.83 15735.19 448.93 o
3 0 10 782.18 689.79 192.43 o
1 1 10 5801.09 5294.55 211.77 o
2 1 10 799.94 911.75 149.44 o
3 1 10 20.07 83.38 120.54 o
0 2 10 20534.52 21726.79 1149.22 o
1 2 10 1682.06 1912.23 186.63 o
2 2 10 14567.80 14434.80 415.22 o