#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/22/83/2228335.hkl $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2228335_Fobs
loop_
_publ_author_name
'Oshchapovsky, Igor'
'Pavlyuk, Volodymyr'
'F\"assler, Thomas F.'
'Hlukhyy, Viktor'
_publ_section_title
;
 TbNb~6~Sn~6~: the first ternary compound from the rare
 earth--niobium--tin system
;
_journal_coeditor_code           HB5709
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i82
_journal_volume                  66
_journal_year                    2010
_space_group_IT_number           191
_symmetry_space_group_name_Hall  '-P 6 2'
_symmetry_space_group_name_H-M   'P 6/m m m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   5.7650
_cell_length_b                   5.7650
_cell_length_c                   9.5387
_exptl_crystal_F_000             611.00
_reflns_d_resolution_high        0.7111
_[local]_cod_data_source_file    hb5709Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' 191 in P6/mmm'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            355.59
_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'
'y, -x+y, z'
'x-y, x, z'
'y, x, -z'
'x-y, -y, -z'
'-x, -x+y, -z'
'-y, -x, -z'
'-x+y, y, -z'
'x, x-y, -z'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'x, y, -z'
'-y, x-y, -z'
'-x+y, -x, -z'
'-y, -x, z'
'-x+y, y, z'
'x, x-y, z'
'y, x, z'
'x-y, -y, z'
'-x, -x+y, z'
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 0 121.56 208.89 12.60 o
-1 2 0 55456.78 55062.36 1038.24 o
0 2 0 53489.00 51524.28 968.56 o
-1 3 0 33.62 109.71 24.35 o
0 3 0 35993.03 34655.18 233.57 o
-2 4 0 126441.30 121198.80 3163.32 o
-1 4 0 21.92 65.98 9.66 o
0 4 0 26233.24 25865.19 184.20 o
-2 5 0 15.44 41.17 9.25 o
-1 5 0 19469.13 19438.82 83.31 o
0 5 0 13.17 22.32 14.30 o
-3 6 0 15176.38 15308.11 133.34 o
-2 6 0 17010.92 17302.79 132.69 o
-1 6 0 15.20 18.18 11.98 o
0 6 0 50291.90 51568.95 460.69 o
-3 7 0 12.46 14.02 17.57 o
-2 7 0 10193.76 10529.95 85.18 o
-1 7 0 12.83 11.89 18.77 o
0 7 0 9.47 14.68 28.11 o
-4 8 0 36232.41 37085.73 314.14 o
-3 8 0 13.41 20.47 21.76 o
0 1 1 255.87 347.90 7.31 o
-1 2 1 241.19 253.45 9.06 o
0 2 1 245.87 263.05 8.26 o
-1 3 1 178.61 183.11 5.24 o
0 3 1 183.23 167.57 8.97 o
-2 4 1 181.83 171.39 7.29 o
-1 4 1 126.41 123.98 6.27 o
0 4 1 123.82 120.78 10.88 o
-2 5 1 95.19 75.45 6.45 o
-1 5 1 121.16 103.50 8.11 o
0 5 1 73.73 68.90 10.62 o
-3 6 1 102.58 69.41 12.05 o
-2 6 1 74.13 59.25 9.80 o
-1 6 1 57.21 58.11 9.34 o
0 6 1 89.07 83.19 14.96 o
-3 7 1 44.03 34.42 11.89 o
-2 7 1 73.54 71.02 11.45 o
-1 7 1 33.43 26.49 12.39 o
0 7 1 25.12 16.35 20.67 o
-4 8 1 63.38 48.78 23.55 o
-3 8 1 25.09 24.43 15.64 o
0 0 2 362.88 542.07 17.03 o
0 1 2 68.12 162.47 22.93 o
-1 2 2 50443.34 50572.55 580.92 o
0 2 2 54594.09 52259.37 460.04 o
-1 3 2 37.05 44.46 3.73 o
0 3 2 33218.49 31812.84 164.04 o
-2 4 2 97.64 135.35 11.53 o
-1 4 2 20.08 21.03 5.20 o
0 4 2 27226.64 26559.54 108.32 o
-2 5 2 11.54 13.84 4.39 o
-1 5 2 18711.57 18517.19 60.01 o
0 5 2 5.86 5.05 7.96 o
-3 6 2 15013.47 15191.59 134.78 o
-2 6 2 17543.28 17452.71 86.62 o
-1 6 2 1.75 6.82 9.03 o
0 6 2 145.51 123.81 19.94 o
-3 7 2 1.68 8.89 13.93 o
-2 7 2 10135.72 10228.54 65.67 o
-1 7 2 1.12 10.94 11.78 o
-4 8 2 140.14 112.10 25.81 o
0 0 3 18127.34 20013.38 471.69 o
0 1 3 17397.83 18423.59 56.85 o
-1 2 3 14941.46 15081.05 65.93 o
0 2 3 13220.34 13138.30 82.16 o
-1 3 3 11450.23 11325.49 38.44 o
0 3 3 10389.79 10250.46 42.73 o
-2 4 3 8536.23 8531.61 51.60 o
-1 4 3 8326.48 8389.08 28.83 o
0 4 3 6918.68 6862.60 40.81 o
-2 5 3 6388.05 6441.41 36.99 o
-1 5 3 6142.12 6264.05 35.85 o
0 5 3 5077.63 5111.36 42.19 o
-3 6 3 4986.27 5023.32 57.58 o
-2 6 3 4354.69 4419.74 32.65 o
-1 6 3 4140.67 4168.07 32.90 o
0 6 3 3621.29 3743.08 67.25 o
-3 7 3 3440.16 3491.79 43.61 o
-2 7 3 3498.87 3598.52 35.48 o
-1 7 3 2900.79 2799.89 33.88 o
0 0 4 120571.62 121798.15 2539.43 o
0 1 4 12360.35 12523.60 86.13 o
-1 2 4 10537.91 10674.89 37.01 o
0 2 4 10264.60 10103.52 56.44 o
-1 3 4 8312.00 8055.28 38.01 o
0 3 4 7399.87 7416.55 56.83 o
-2 4 4 58815.81 58990.98 319.52 o
-1 4 4 6166.27 6057.09 27.84 o
0 4 4 5961.94 6093.73 53.51 o
-2 5 4 4775.05 4695.51 32.12 o
-1 5 4 4154.05 4256.49 33.60 o
0 5 4 3855.88 3692.52 39.75 o
-3 6 4 3239.82 3368.71 43.50 o
-2 6 4 4219.91 4318.98 33.01 o
-1 6 4 3265.86 3087.67 29.94 o
0 6 4 25746.42 26309.80 125.66 o
-3 7 4 2741.96 2568.48 34.04 o
-2 7 4 2196.93 2136.95 29.35 o
-1 7 4 2382.58 2121.54 31.95 o
0 0 5 105.77 75.80 16.60 o
0 1 5 36.31 56.75 7.14 o
-1 2 5 33.41 31.53 5.54 o
0 2 5 87.01 82.49 5.91 o
-1 3 5 26.19 31.51 4.83 o
0 3 5 29.99 38.55 8.29 o
-2 4 5 72.30 68.88 9.56 o
-1 4 5 19.89 19.38 6.02 o
0 4 5 49.67 37.03 9.15 o
-2 5 5 15.30 19.29 7.51 o
-1 5 5 24.74 22.02 7.39 o
0 5 5 11.46 14.37 11.14 o
-3 6 5 21.69 21.23 13.75 o
-2 6 5 29.56 23.86 9.06 o
-1 6 5 8.22 7.13 9.72 o
0 6 5 39.74 28.22 14.89 o
-3 7 5 5.76 16.38 11.98 o
-2 7 5 15.71 22.71 11.90 o
0 0 6 7253.41 7148.22 88.99 o
0 1 6 6733.40 6524.52 67.39 o
-1 2 6 64631.15 65011.24 283.01 o
0 2 6 9204.98 9279.97 55.71 o
-1 3 6 5077.05 5055.52 24.53 o
0 3 6 48480.81 48850.39 279.32 o
-2 4 6 3735.07 3722.16 47.74 o
-1 4 6 4064.66 4086.79 26.74 o
0 4 6 5786.72 5788.31 43.97 o
-2 5 6 3316.92 3312.18 36.68 o
-1 5 6 30868.47 31232.41 155.26 o
0 5 6 2770.57 2770.28 47.74 o
-3 6 6 25636.97 26993.10 206.07 o
-2 6 6 4129.04 4145.11 43.01 o
-1 6 6 2393.88 2403.03 36.46 o
0 6 6 1402.95 1264.69 36.89 o
-3 7 6 2022.00 1937.36 32.75 o
-2 7 6 18279.88 18770.02 177.57 o
0 0 7 185.02 161.27 23.43 o
0 1 7 347.57 363.87 12.65 o
-1 2 7 311.87 331.68 11.91 o
0 2 7 160.95 129.07 10.56 o
-1 3 7 263.77 246.78 8.46 o
0 3 7 254.79 251.45 14.81 o
-2 4 7 125.85 107.08 11.42 o
-1 4 7 206.49 160.49 8.73 o
0 4 7 95.40 87.90 12.60 o
-2 5 7 163.47 137.26 11.43 o
-1 5 7 179.52 140.99 11.33 o
0 5 7 130.07 75.50 15.36 o
-3 6 7 152.20 101.25 24.59 o
-2 6 7 57.63 48.67 13.06 o
-1 6 7 103.93 70.96 12.64 o
0 0 8 51661.16 52388.06 306.99 o
0 1 8 7537.87 7591.61 61.25 o
-1 2 8 4223.56 4317.81 56.72 o
0 2 8 4131.00 4244.74 43.72 o
-1 3 8 5928.60 5961.23 39.67 o
0 3 8 3249.40 3278.41 42.14 o
-2 4 8 32975.34 33410.76 176.22 o
-1 4 8 4846.82 4717.99 35.18 o
0 4 8 2988.32 2954.52 45.75 o
-2 5 8 4022.03 3992.36 44.81 o
-1 5 8 2054.95 2007.93 35.56 o
0 5 8 3411.79 3340.58 65.68 o
-3 6 8 1674.65 1523.98 49.92 o
-2 6 8 2201.41 2074.41 38.39 o
-1 6 8 2985.53 2713.65 44.38 o
0 0 9 5367.90 5487.48 201.89 o
0 1 9 4486.68 4455.47 39.81 o
-1 2 9 4114.46 4032.09 60.74 o
0 2 9 4676.09 4686.53 46.27 o
-1 3 9 3589.68 3542.61 35.28 o
0 3 9 3368.83 3402.21 60.28 o
-2 4 9 3600.17 3528.50 51.40 o
-1 4 9 2939.06 2838.32 36.24 o
0 4 9 3145.04 3101.91 50.26 o
-2 5 9 2450.32 2387.70 37.44 o
-1 5 9 2392.18 2318.68 41.61 o
0 5 9 2070.59 1864.48 67.40 o
-3 6 9 2057.25 1936.58 59.72 o
0 0 10 31.55 121.15 44.79 o
0 1 10 16.69 26.44 13.94 o
-1 2 10 16467.83 16810.34 141.96 o
0 2 10 14297.86 14512.52 105.44 o
-1 3 10 17.23 29.53 9.34 o
0 3 10 13564.11 13979.41 95.78 o
-2 4 10 14.58 68.82 17.73 o
-1 4 10 16.84 35.63 11.52 o
0 4 10 10300.28 10354.04 94.03 o
-2 5 10 12.95 31.34 15.29 o
-1 5 10 9673.74 9687.54 91.57 o
0 0 11 11.98 2.04 36.72 o
0 1 11 11.82 13.85 12.95 o
-1 2 11 8.09 -2.08 13.14 o
0 2 11 8.45 22.44 15.39 o
-1 3 11 8.44 27.04 10.10 o
0 3 11 7.14 7.55 15.48 o
-2 4 11 8.79 1.80 17.76 o
-1 4 11 5.83 5.51 13.75 o
0 4 11 9.88 7.09 21.33 o
0 0 12 40745.55 39560.79 485.38 o
0 1 12 294.24 256.75 23.53 o
-1 2 12 7793.35 8036.42 94.58 o
0 2 12 7683.30 7773.80 107.86 o
-1 3 12 253.46 181.90 13.97 o
0 3 12 6617.68 6757.59 87.54 o
0 0 13 232.56 268.74 62.26 o
0 1 13 108.07 76.16 19.44 o
-1 2 13 88.68 79.44 19.02 o