#------------------------------------------------------------------------------
#$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $
#$Revision: 26025 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/2208747.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_2208747_Fobs
loop_
_publ_author_name
'Bobev, Svilen'
'Bauer, Eric D.'
'Sarrao, John L.'
_publ_section_title
;
Copper deficiency in UCu~5{-~x}Sn [x = 0.37(1)]
;
_journal_coeditor_code WM2010
_journal_issue 4
_journal_name_full 'Acta Crystallographica Section E'
_journal_page_first i106
_journal_page_last i108
_journal_volume 62
_journal_year 2006
_space_group_IT_number 194
_symmetry_space_group_name_Hall '-P 6c 2c'
_symmetry_space_group_name_H-M 'P 63/m m c'
_cell_angle_alpha 90.000
_cell_angle_beta 90.000
_cell_angle_gamma 120.000
_cell_length_a 4.9855
_cell_length_b 4.9855
_cell_length_c 20.3167
_exptl_crystal_F_000 1104.50
_reflns_d_resolution_high 0.7514
_[local]_cod_data_source_file wm2010Isup2.hkl
_[local]_cod_data_source_block I
#BEGIN Tags that were not found in dictionaries:
_shelx_title ' final in P6(3)/mmc'
_shelx_refln_list_code 4
_shelx_f_calc_maximum 528.99
_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'
'y, x, -z'
'x-y, -y, -z'
'-x, -x+y, -z'
'-y, -x, -z+1/2'
'-x+y, y, -z+1/2'
'x, x-y, -z+1/2'
'-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'
'-y, -x, z'
'-x+y, y, z'
'x, x-y, z'
'y, x, z-1/2'
'x-y, -y, z-1/2'
'-x, -x+y, 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 0 196.49 311.80 58.99 o
-1 2 0 253877.44 265539.06 7515.40 o
0 2 0 20634.33 21163.77 468.67 o
-1 3 0 110.06 129.33 55.13 o
0 3 0 136701.95 122995.34 2346.91 o
-2 4 0 279832.44 266740.09 6371.37 o
-1 4 0 140.54 118.27 56.41 o
0 4 0 5936.60 5569.01 249.19 o
-2 5 0 146.20 71.09 45.94 o
-1 5 0 55530.13 47397.19 833.24 o
0 5 0 55.02 114.25 85.12 o
-3 6 0 38013.91 35606.32 1147.84 o
-2 6 0 2391.04 2265.72 128.69 o
-1 6 0 64.00 37.92 65.40 o
0 1 1 5619.85 5708.42 103.30 o
0 2 1 74647.48 74230.77 1083.93 o
-1 3 1 2813.13 2636.63 66.99 o
0 3 1 5.10 4.40 45.71 o
-1 4 1 1964.67 1891.83 66.89 o
0 4 1 25200.06 23319.12 463.50 o
-2 5 1 1481.86 1469.24 60.70 o
-1 5 1 1.89 -15.61 35.61 o
0 5 1 960.85 826.85 85.06 o
-2 6 1 11335.27 10812.57 204.50 o
-1 6 1 692.48 794.83 62.25 o
0 0 2 5.69 612.84 137.01 o
0 1 2 8608.74 11655.05 144.88 o
-1 2 2 7519.87 7863.79 142.79 o
0 2 2 14880.91 16509.72 243.75 o
-1 3 2 5349.61 5750.68 96.08 o
0 3 2 3965.43 3749.01 137.01 o
-2 4 2 1.18 -28.86 45.40 o
-1 4 2 3873.22 3864.85 90.41 o
0 4 2 6614.43 6304.92 187.77 o
-2 5 2 2936.48 2970.33 76.78 o
-1 5 2 1585.64 1606.25 71.61 o
0 5 2 2316.22 2563.78 127.63 o
-3 6 2 1101.86 1068.14 78.39 o
-2 6 2 3557.03 3672.27 108.73 o
-1 6 2 1741.98 1709.48 81.02 o
0 1 3 1183.34 1614.21 36.75 o
0 2 3 4359.05 4423.53 89.79 o
-1 3 3 760.61 850.82 36.99 o
0 3 3 2.16 -13.36 37.87 o
-1 4 3 487.97 560.24 42.15 o
0 4 3 1275.49 1381.00 89.41 o
-2 5 3 324.08 260.07 33.43 o
-1 5 3 0.81 26.77 36.56 o
0 5 3 259.79 187.56 70.64 o
-2 6 3 555.41 592.60 51.99 o
-1 6 3 180.60 158.87 42.19 o
0 0 4 12875.36 16422.66 1741.35 o
0 1 4 6472.70 6712.42 94.00 o
-1 2 4 129188.59 141844.75 1534.55 o
0 2 4 37273.19 38291.63 414.54 o
-1 3 4 3737.92 3519.84 59.78 o
0 3 4 71609.78 71538.45 890.96 o
-2 4 4 5205.89 5030.80 145.95 o
-1 4 4 2175.56 2091.63 63.00 o
0 4 4 12895.22 12741.78 270.10 o
-2 5 4 1389.41 1299.45 52.38 o
-1 5 4 30076.86 28596.91 358.80 o
0 5 4 1246.09 1167.47 83.76 o
-3 6 4 20939.43 19446.39 379.99 o
-2 6 4 5904.24 5936.15 123.09 o
-1 6 4 819.49 813.98 56.40 o
0 1 5 18843.28 20881.94 230.48 o
0 2 5 17600.31 19159.90 213.01 o
-1 3 5 10454.06 10194.87 108.89 o
0 3 5 7.39 28.67 33.71 o
-1 4 5 6505.29 6003.52 93.87 o
0 4 5 4757.48 4763.49 127.39 o
-2 5 5 4229.27 3949.82 82.45 o
-1 5 5 2.82 -30.86 30.86 o
0 5 5 3185.46 3260.12 129.76 o
-2 6 5 1836.92 1889.27 72.97 o
-1 6 5 2278.02 2621.79 88.36 o
0 0 6 4870.86 5310.81 383.07 o
0 1 6 82200.06 95799.33 1068.71 o
-1 2 6 76298.47 78689.74 896.29 o
0 2 6 19310.83 20713.26 228.64 o
-1 3 6 44433.12 43580.80 359.23 o
0 3 6 40714.56 40208.57 470.31 o
-2 4 6 1293.78 1375.14 81.10 o
-1 4 6 28600.30 27413.09 282.33 o
0 4 6 8653.61 8464.66 188.92 o
-2 5 6 19536.52 17959.93 225.01 o
-1 5 6 15600.88 15122.27 215.40 o
0 5 6 13230.47 12517.87 294.69 o
-3 6 6 10547.15 10333.82 229.05 o
-2 6 6 4562.48 4476.79 112.91 o
-1 6 6 9695.71 9626.29 174.31 o
0 1 7 53560.29 57739.61 652.17 o
0 2 7 22581.49 22590.46 247.44 o
-1 3 7 28425.46 27482.40 224.25 o
0 3 7 0.22 24.62 29.52 o
-1 4 7 17364.49 16530.04 197.70 o
0 4 7 8424.51 8261.94 193.39 o
-2 5 7 11303.75 10785.44 156.70 o
-1 5 7 0.08 -33.80 33.80 o
0 5 7 7586.23 7821.13 217.42 o
-2 6 7 3888.37 3969.31 115.12 o
0 0 8 109159.41 115562.55 7008.14 o
0 1 8 25838.89 26515.19 321.31 o
-1 2 8 26018.49 27442.05 329.39 o
0 2 8 6220.85 6255.90 99.85 o
-1 3 8 13597.21 13462.93 128.86 o
0 3 8 16577.72 16925.86 238.18 o
-2 4 8 37908.43 36512.29 535.29 o
-1 4 8 8664.22 8279.99 117.57 o
0 4 8 2462.99 2525.21 108.61 o
-2 5 8 5867.39 5634.80 100.92 o
-1 5 8 8144.12 8169.71 143.70 o
0 5 8 3645.24 3757.87 238.76 o
-3 6 8 5881.68 5694.81 172.66 o
-2 6 8 1191.44 1342.15 70.93 o
0 1 9 21547.58 21930.94 275.59 o
0 2 9 4985.10 5041.76 91.77 o
-1 3 9 11382.97 11321.34 117.79 o
0 3 9 7.59 -2.62 31.90 o
-1 4 9 6372.92 6530.40 108.62 o
0 4 9 2058.60 2126.03 111.63 o
-2 5 9 3808.75 3871.72 93.63 o
-1 5 9 3.07 -36.42 36.42 o
0 5 9 2756.49 3239.46 149.47 o
-2 6 9 1002.47 1000.06 64.77 o
0 0 10 88195.73 86478.18 2608.50 o
0 1 10 12922.82 13622.55 186.72 o
-1 2 10 4.81 39.56 25.47 o
0 2 10 47936.96 49383.75 564.60 o
-1 3 10 8681.56 8848.20 99.44 o
0 3 10 2.36 36.83 38.16 o
-2 4 10 26561.98 26050.79 405.30 o
-1 4 10 5800.16 5783.93 134.57 o
0 4 10 19895.97 19322.21 380.24 o
-2 5 10 4058.46 4153.33 101.84 o
-1 5 10 16.09 28.88 39.28 o
0 5 10 3331.01 3679.26 161.69 o
-3 6 10 23.31 -63.28 63.28 o
-2 6 10 9874.81 9808.84 189.31 o
0 1 11 5579.67 5393.33 95.97 o
0 2 11 40254.86 39689.28 501.40 o
-1 3 11 3474.24 3325.09 61.38 o
0 3 11 0.34 -39.87 39.87 o
-1 4 11 2362.18 2436.12 70.77 o
0 4 11 16000.28 15952.92 403.92 o
-2 5 11 1687.15 1960.28 74.11 o
-1 5 11 0.14 -38.85 38.85 o
0 5 11 1166.87 1235.86 104.48 o
0 0 12 126102.38 118534.10 3511.99 o
0 1 12 2387.28 2337.56 67.17 o
-1 2 12 82094.18 80553.40 874.12 o
0 2 12 1011.09 959.42 52.87 o
-1 3 12 1519.66 1448.07 42.86 o
0 3 12 52434.78 50923.68 685.30 o
-2 4 12 49987.96 48469.48 678.71 o
-1 4 12 940.35 945.54 49.47 o
0 4 12 444.65 408.15 77.05 o
-2 5 12 605.54 644.61 58.20 o
-1 5 12 24921.88 25078.96 389.01 o
0 5 12 497.81 481.56 86.38 o
0 1 13 27758.88 25410.42 365.15 o
0 2 13 3073.15 2924.22 82.08 o
-1 3 13 17178.92 15767.83 161.81 o
0 3 13 5.41 -36.81 36.81 o
-1 4 13 10987.73 10848.32 186.77 o
0 4 13 1451.90 1595.88 135.78 o
-2 5 13 7289.41 7430.85 196.20 o
-1 5 13 2.36 3.21 42.66 o
0 5 13 5377.49 5827.77 199.29 o
0 0 14 9971.04 8283.96 375.36 o
0 1 14 23157.84 22048.96 327.63 o
-1 2 14 10189.07 10171.39 182.59 o
0 2 14 2171.59 2286.96 75.63 o
-1 3 14 14564.72 14039.82 152.95 o
0 3 14 5862.58 6116.01 157.47 o
-2 4 14 4030.35 3798.21 113.31 o
-1 4 14 10437.61 10143.74 143.77 o
0 4 14 1360.87 1303.76 89.32 o
-2 5 14 7634.53 7556.10 206.50 o
-1 5 14 2388.74 2534.04 100.35 o
0 1 15 1220.44 1173.01 62.52 o
0 2 15 33094.35 31660.63 415.16 o
-1 3 15 624.98 631.89 40.05 o
0 3 15 2.08 -42.06 42.06 o
-1 4 15 392.06 344.20 49.06 o
0 4 15 13247.79 13475.65 333.53 o
-2 5 15 286.38 233.95 53.25 o
-1 5 15 0.95 -46.51 46.51 o
0 0 16 3736.69 3428.89 222.83 o
0 1 16 5717.57 5167.37 116.70 o
-1 2 16 27803.37 26314.09 405.77 o
0 2 16 14641.74 14261.75 241.85 o
-1 3 16 3700.28 3860.75 74.22 o
0 3 16 18737.46 19367.80 312.28 o
-2 4 16 2246.68 2480.18 96.23 o
-1 4 16 2522.08 2768.34 100.86 o
0 4 16 6528.29 7060.26 260.87 o
-2 5 16 1791.87 2151.40 88.92 o
-1 5 16 9414.55 10077.82 203.58 o
0 1 17 14764.88 13231.60 247.65 o
0 2 17 11110.52 10338.65 197.33 o
-1 3 17 9350.36 9029.59 129.94 o
0 3 17 2.30 32.54 43.55 o
-1 4 17 6399.35 6674.32 144.06 o
0 4 17 5009.93 5205.64 208.34 o
-2 5 17 4500.84 5063.70 188.19 o
0 0 18 38025.14 30509.67 1331.97 o
0 1 18 14859.89 13497.66 292.27 o
-1 2 18 6350.53 6035.01 138.38 o
0 2 18 24557.98 22773.88 380.76 o
-1 3 18 10806.66 10398.28 154.70 o
0 3 18 4142.83 4121.13 130.33 o
-2 4 18 15908.73 15507.54 319.26 o
-1 4 18 7451.90 7879.54 168.81 o
0 4 18 12142.36 12914.79 308.43 o
0 1 19 395.15 411.13 49.39 o
0 2 19 18755.64 17218.61 303.98 o
-1 3 19 288.47 306.12 34.04 o
0 3 19 3.66 -63.82 63.82 o
-1 4 19 246.91 213.87 43.56 o
0 4 19 8978.68 10071.66 260.84 o
0 0 20 86414.53 81808.98 3299.92 o
0 1 20 3455.91 3278.71 110.55 o
-1 2 20 17952.40 16308.90 296.36 o
0 2 20 119.18 102.16 43.36 o
-1 3 20 2308.14 2374.10 68.38 o
0 3 20 12551.91 12622.15 273.58 o
-2 4 20 40019.35 39138.62 664.68 o
-1 4 20 1702.44 2119.23 109.14 o
0 1 21 677.77 781.58 65.35 o
0 2 21 1509.28 1524.75 82.80 o
-1 3 21 445.54 467.90 38.70 o
0 3 21 0.28 -51.86 51.86 o
-1 4 21 334.72 300.84 51.60 o
0 0 22 2803.85 3218.88 281.07 o
0 1 22 2075.22 2224.22 101.84 o
-1 2 22 1589.78 1334.53 91.06 o
0 2 22 1472.00 1362.11 79.80 o
-1 3 22 1487.63 1447.32 57.70 o
0 3 22 1115.10 1289.97 92.40 o
0 1 23 5091.61 5017.02 145.13 o
0 2 23 30.34 77.53 45.03 o
-1 3 23 3666.23 3791.44 95.22 o
0 3 23 3.61 12.12 57.36 o
0 0 24 19309.17 21057.36 998.88 o
0 1 24 578.45 666.25 63.09 o
-1 2 24 53635.03 53021.77 905.19 o
0 2 24 908.54 931.76 73.95 o
-1 3 24 341.86 392.21 55.34 o
0 1 25 4063.39 4357.84 135.54 o
0 2 25 322.34 380.70 57.54 o
0 0 26 1856.04 2096.17 247.85 o
0 1 26 2942.38 3121.87 118.78 o