#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/10/2201014.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_2201014_Fobs
loop_
_publ_author_name
'Lewis, Chad A.'
'Wang, Meitian'
'Mar, Arthur'
_publ_section_title
;
 Vanadium nickel antimonide, VNi~0.26(2)~Sb
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i39
_journal_page_last               i40
_journal_volume                  58
_journal_year                    2002
_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                   4.2527
_cell_length_b                   4.2527
_cell_length_c                   5.4443
_exptl_crystal_F_000             162.84
_reflns_d_resolution_high        0.6615
_[local]_cod_data_source_file    br6047Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' VNi0.3Sb P6(3)/mmc LSF final refinement'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            104.16
_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 0 109.68 147.64 2.24 o
-1 2 0 10850.32 10449.05 273.84 o
0 2 0 44.31 41.03 0.99 o
-1 3 0 18.37 29.74 0.94 o
0 3 0 3530.05 3481.89 69.08 o
-2 4 0 2197.30 2212.20 44.71 o
-1 4 0 1.74 10.63 0.53 o
0 4 0 0.17 4.08 0.69 o
-2 5 0 0.09 7.81 0.62 o
-1 5 0 651.43 619.49 12.19 o
0 5 0 1.09 36.04 1.89 o
-3 6 0 327.57 323.25 9.39 o
-2 6 0 1.53 29.01 1.26 o
-1 6 0 1.80 7.86 1.69 o
0 1 1 3384.05 3417.52 34.73 o
0 2 1 1559.49 1625.29 20.67 o
-1 3 1 804.26 789.62 7.13 o
0 3 1 0.00 5.34 0.42 o
-1 4 1 236.61 257.73 2.81 o
0 4 1 131.17 89.52 1.91 o
-2 5 1 73.00 61.38 1.10 o
-1 5 1 0.00 9.93 0.52 o
0 5 1 22.11 23.57 1.21 o
-2 6 1 11.78 15.50 0.76 o
0 0 2 3312.35 3033.60 179.20 o
0 1 2 5008.01 5261.63 58.91 o
-1 2 2 1635.57 1703.20 19.15 o
0 2 2 2750.90 2751.72 33.14 o
-1 3 2 1642.04 1762.66 16.68 o
0 3 2 489.17 462.45 6.78 o
-2 4 2 276.61 258.33 4.16 o
-1 4 2 677.18 620.96 6.94 o
0 4 2 459.11 555.30 9.22 o
-2 5 2 320.11 350.94 4.67 o
-1 5 2 53.03 39.92 0.92 o
0 5 2 166.17 116.50 2.71 o
-3 6 2 18.07 19.84 1.14 o
-2 6 2 122.82 105.28 2.01 o
0 1 3 1938.81 1967.33 20.55 o
0 2 3 1021.71 1064.18 13.80 o
-1 3 3 558.11 547.78 5.66 o
0 3 3 0.00 7.72 0.53 o
-1 4 3 175.96 188.65 2.37 o
0 4 3 100.11 71.12 1.87 o
-2 5 3 56.95 51.51 1.09 o
-1 5 3 0.00 10.36 0.55 o
0 5 3 17.84 20.05 1.11 o
0 0 4 6843.76 6492.31 107.96 o
0 1 4 87.37 151.05 2.72 o
-1 2 4 4104.83 4093.90 45.90 o
0 2 4 40.87 68.07 1.47 o
-1 3 4 18.00 39.96 0.73 o
0 3 4 1661.55 1688.55 24.92 o
-2 4 4 1106.85 1125.38 17.62 o
-1 4 4 2.33 14.00 0.51 o
0 4 4 0.49 8.33 0.78 o
-2 5 4 0.02 8.01 0.55 o
-1 5 4 374.00 373.83 5.43 o
0 1 5 903.61 885.58 13.56 o
0 2 5 518.46 559.60 8.90 o
-1 3 5 301.91 299.18 3.74 o
0 3 5 0.00 3.67 0.59 o
-1 4 5 104.80 117.35 1.86 o
0 4 5 61.82 51.89 1.63 o
-2 5 5 36.22 38.35 1.31 o
0 0 6 782.52 622.00 32.64 o
0 1 6 866.52 895.58 10.76 o
-1 2 6 463.66 420.19 7.29 o
0 2 6 585.46 664.18 10.62 o
-1 3 6 404.81 487.14 5.91 o
0 3 6 167.84 161.81 3.64 o
-2 4 6 102.08 104.73 2.25 o
-1 4 6 204.52 225.41 3.27 o
0 1 7 382.03 351.45 3.57 o
0 2 7 233.65 244.99 5.40 o
-1 3 7 143.35 158.58 2.47 o
0 0 8 990.36 977.10 15.01 o
0 1 8 26.22 51.72 1.64 o