#------------------------------------------------------------------------------
#$Date: 2013-10-24 17:51:33 +0300 (Thu, 24 Oct 2013) $
#$Revision: 89414 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/23/83/2238336.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_2238336_Fobs
loop_
_publ_author_name
'Balinska, Agnieszka'
'Tarasiuk, Ivan'
'Pavlyuk, Volodymyr'
_publ_section_title
;
 Pentazirconium copper tribismuth
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i51
_journal_volume                  69
_journal_year                    2013
_space_group_IT_number           193
_symmetry_space_group_name_Hall  '-P 6c 2'
_symmetry_space_group_name_H-M   'P 63/m c m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   8.8712
_cell_length_b                   8.8712
_cell_length_c                   6.0246
_exptl_crystal_F_000             956.00
_reflns_d_resolution_high        0.7721
_[local]_cod_data_source_file    ff2112Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' Zr5CuBi3 in P-3c1           New: P63/mcm'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            587.59
_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, x, z+1/2'
'-y, x-y, z'
'-x, -y, z+1/2'
'-x+y, -x, z'
'y, -x+y, z+1/2'
'-y, -x, -z'
'x-y, -y, -z+1/2'
'x, x-y, -z'
'y, x, -z+1/2'
'-x+y, y, -z'
'-x, -x+y, -z+1/2'
'-x, -y, -z'
'-x+y, -x, -z-1/2'
'y, -x+y, -z'
'x, y, -z-1/2'
'x-y, x, -z'
'-y, x-y, -z-1/2'
'y, x, z'
'-x+y, y, z-1/2'
'-x, -x+y, z'
'-y, -x, z-1/2'
'x-y, -y, z'
'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 0 243.34 226.26 318.96 o
-1 2 0 11676.86 11341.68 683.19 o
0 2 0 3016.80 2916.45 326.15 o
-1 3 0 2440.45 3357.69 617.58 o
0 3 0 345262.53 351693.44 7774.75 o
-2 4 0 2896.18 2955.71 381.16 o
-1 4 0 3736.59 4024.47 756.52 o
0 4 0 460.01 428.72 309.63 o
-2 5 0 7621.37 7342.55 1233.22 o
-1 5 0 454.01 655.81 175.28 o
0 5 0 50261.19 49349.30 5518.66 o
-3 6 0 90825.45 89526.32 1913.47 o
-2 6 0 17165.26 17651.82 1870.39 o
-1 6 0 2858.69 3473.79 818.80 o
0 6 0 49676.03 48861.73 1348.85 o
-3 7 0 1469.66 1820.91 493.23 o
-2 7 0 1128.31 1165.45 184.78 o
-1 7 0 18198.60 18098.03 1919.69 o
0 7 0 312.10 366.13 286.53 o
-4 8 0 6330.23 6729.02 573.17 o
-3 8 0 45877.23 45852.20 3654.14 o
-2 8 0 3017.60 3679.75 962.96 o
-1 8 0 4759.32 4994.33 336.17 o
0 8 0 87216.28 84456.45 3694.62 o
-4 9 0 8194.79 8433.58 1195.78 o
-3 9 0 6706.59 6571.20 376.04 o
-2 9 0 20992.09 20501.35 1753.60 o
-1 9 0 752.04 779.99 212.58 o
0 9 0 2920.87 3029.00 402.16 o
-5 10 0 7146.85 6714.21 539.71 o
-4 10 0 9248.17 9208.56 1289.95 o
-3 10 0 346.34 522.31 245.30 o
-2 10 0 6195.98 5892.93 358.87 o
-1 10 0 19228.17 18315.54 1802.90 o
-5 11 0 10982.81 11572.34 1654.45 o
-4 11 0 3296.36 3154.14 274.40 o
-3 11 0 47244.10 47224.38 4173.45 o
-1 2 1 46148.87 44689.33 973.29 o
-1 3 1 45587.39 47118.09 833.11 o
-2 4 1 48101.66 46619.49 932.10 o
-1 4 1 28186.51 28083.55 655.71 o
-2 5 1 20613.45 21322.58 674.90 o
-1 5 1 26813.67 26130.89 602.51 o
-3 6 1 6598.59 6958.34 385.27 o
-2 6 1 50868.16 50099.68 1138.49 o
-1 6 1 42121.74 42298.52 1052.53 o
-3 7 1 13516.65 13440.90 515.38 o
-2 7 1 29808.53 29503.20 696.18 o
-1 7 1 28162.86 27569.64 680.63 o
-4 8 1 2319.44 2425.82 303.23 o
-3 8 1 1411.51 1588.44 167.05 o
-2 8 1 5736.28 5836.18 303.99 o
-1 8 1 3394.33 3518.90 250.76 o
-4 9 1 22623.65 22438.19 823.19 o
-3 9 1 14046.96 13831.57 438.38 o
-2 9 1 21738.22 21742.46 659.76 o
-1 9 1 4632.64 4756.88 284.37 o
-5 10 1 15300.99 14915.16 545.48 o
-4 10 1 17644.13 17740.47 696.19 o
-3 10 1 9064.92 9136.04 385.37 o
-2 10 1 3976.74 4054.94 232.29 o
-1 10 1 13840.56 14370.46 602.07 o
-5 11 1 720.33 910.80 131.08 o
-4 11 1 2520.39 2709.68 272.31 o
-3 11 1 26.28 31.00 179.19 o
0 0 2 173665.58 173662.27 4304.33 o
0 1 2 97.34 170.93 195.50 o
-1 2 2 167323.92 171833.31 1752.30 o
0 2 2 4569.10 5218.17 807.73 o
-1 3 2 733.22 1097.58 245.18 o
0 3 2 63108.53 61902.91 1235.24 o
-2 4 2 98532.02 100309.07 1552.32 o
-1 4 2 1986.67 2137.85 354.92 o
0 4 2 941.28 1671.59 330.32 o
-2 5 2 8829.45 9405.16 763.75 o
-1 5 2 49406.21 49489.54 678.53 o
0 5 2 48666.88 48498.08 2850.79 o
-3 6 2 5131.53 4903.19 367.49 o
-2 6 2 12241.04 12471.38 1063.91 o
-1 6 2 1435.72 2175.55 450.97 o
0 6 2 788.96 812.00 213.37 o
-3 7 2 843.01 1389.62 362.43 o
-2 7 2 23214.05 23346.07 724.77 o
-1 7 2 13749.52 14029.91 1261.65 o
0 7 2 709.61 1348.71 281.28 o
-4 8 2 8910.67 9205.14 439.30 o
-3 8 2 45031.20 44085.00 1800.70 o
-2 8 2 3741.99 4437.08 527.52 o
-1 8 2 7576.02 7899.15 324.72 o
0 8 2 83802.56 80445.85 3839.17 o
-4 9 2 5909.97 6441.73 758.56 o
-3 9 2 4291.38 3989.12 276.46 o
-2 9 2 16637.95 16817.59 1304.28 o
-1 9 2 308.06 480.39 155.22 o
0 9 2 4756.95 4426.32 426.01 o
-5 10 2 2364.01 2295.04 315.55 o
-4 10 2 6993.88 7540.69 905.21 o
-3 10 2 131.65 371.82 155.31 o
-2 10 2 1858.01 1909.97 211.59 o
-1 10 2 15684.68 15810.17 1434.35 o
-5 11 2 11527.31 11483.06 794.11 o
-1 2 3 33021.70 31330.19 957.73 o
-1 3 3 30613.98 31051.45 926.52 o
-2 4 3 35672.89 34883.61 1554.87 o
-1 4 3 20446.68 20430.08 1174.21 o
-2 5 3 14850.03 15179.80 608.56 o
-1 5 3 20536.33 20194.24 840.82 o
-3 6 3 4931.66 5703.98 606.85 o
-2 6 3 39060.99 38301.55 949.80 o
-1 6 3 32161.69 31787.35 986.15 o
-3 7 3 10709.88 10976.38 829.38 o
-2 7 3 23430.32 22949.24 951.65 o
-1 7 3 22690.64 22403.33 788.73 o
-4 8 3 1874.58 1978.37 344.55 o
-3 8 3 1116.05 1370.01 186.06 o
-2 8 3 4568.53 4694.63 310.27 o
-1 8 3 2753.75 2822.85 256.89 o
-4 9 3 18496.20 18261.76 723.46 o
-3 9 3 11405.07 11532.07 693.15 o
-2 9 3 18106.21 18214.90 566.35 o
-1 9 3 3797.94 3895.31 269.77 o
-5 10 3 12549.20 11901.06 737.08 o
-4 10 3 14763.17 14998.92 788.20 o
-3 10 3 7528.38 7713.88 508.76 o
-2 10 3 3279.20 3214.37 229.13 o
0 0 4 315348.81 315645.09 5761.51 o
0 1 4 210.74 255.60 230.23 o
-1 2 4 6030.10 5682.01 355.55 o
0 2 4 1729.92 2232.98 590.43 o
-1 3 4 1208.90 1999.33 397.51 o
0 3 4 174511.89 173342.06 3672.76 o
-2 4 4 1777.35 1747.25 283.66 o
-1 4 4 2560.96 3283.33 423.80 o
0 4 4 204.12 1230.52 503.43 o
-2 5 4 4512.28 4897.00 636.74 o
-1 5 4 297.05 421.58 161.41 o
0 5 4 29589.34 29175.68 2257.91 o
-3 6 4 54496.92 54029.68 2424.90 o
-2 6 4 10721.64 10961.09 896.24 o
-1 6 4 1833.30 2355.60 387.47 o
0 6 4 31336.99 31366.31 2161.42 o
-3 7 4 1200.79 1283.02 165.42 o
-2 7 4 743.13 1029.48 198.64 o
-1 7 4 12209.81 12191.97 862.41 o
0 7 4 156.17 576.48 199.75 o
-4 8 4 4033.33 3774.30 448.95 o
-3 8 4 29602.41 29348.08 1662.22 o
-2 8 4 1957.33 2655.50 506.79 o
-1 8 4 3170.78 3145.86 365.68 o
0 8 4 58336.96 56756.31 4181.38 o
-4 9 4 5749.08 5966.51 619.40 o
-3 9 4 4707.91 5161.13 466.86 o
-2 9 4 14600.00 13992.24 929.45 o
-1 9 4 568.83 1152.46 228.39 o
-1 2 5 20463.35 20213.88 903.83 o
-1 3 5 17290.38 17490.06 1116.98 o
-2 4 5 22093.67 22196.73 1205.54 o
-1 4 5 12365.40 12586.07 993.00 o
-2 5 5 8900.87 9066.56 640.00 o
-1 5 5 13138.39 13586.22 921.66 o
-3 6 5 3069.34 3247.70 408.35 o
-2 6 5 25091.16 24721.38 1247.36 o
-1 6 5 20493.30 20152.62 1168.49 o
-3 7 5 7154.97 7476.35 662.32 o
-2 7 5 15449.57 15507.42 581.10 o
-1 7 5 15518.66 15569.76 614.90 o
-4 8 5 1285.00 1848.66 441.14 o
-3 8 5 734.02 938.63 156.28 o
-2 8 5 3032.49 3298.75 310.00 o
-1 8 5 1884.95 2349.93 314.76 o
0 0 6 53011.42 51369.03 2394.44 o
0 1 6 65.22 192.39 199.30 o
-1 2 6 52298.95 51208.55 974.68 o
0 2 6 2160.08 3171.85 900.16 o
-1 3 6 103.68 168.93 147.97 o
0 3 6 22888.72 22318.52 1387.96 o
-2 4 6 35199.93 34401.00 1609.66 o
-1 4 6 751.41 1278.23 241.15 o
0 4 6 434.72 942.37 297.57 o
-2 5 6 4298.83 5188.08 675.14 o
-1 5 6 19898.31 19661.04 494.43 o
0 5 6 21467.16 21414.37 2092.62 o
-3 6 6 2359.69 2663.43 539.66 o
-2 6 6 4588.90 4869.30 514.98 o
-1 6 6 392.03 567.02 163.94 o
0 6 6 467.14 788.70 235.94 o
-3 7 6 430.87 986.97 251.42 o
-2 7 6 10367.62 10174.55 729.33 o
-1 2 7 11560.56 11710.67 736.26 o
-1 3 7 9129.31 9306.41 683.47 o
-2 4 7 12501.38 12753.07 1093.23 o
-1 4 7 6844.17 7344.04 834.63 o
-2 5 7 4819.05 5099.96 441.40 o