#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/65/2206580.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_2206580_Fobs
loop_
_publ_author_name
'Kars, Mohammed'
'Rebbah, Allaoua'
'Rebbah, Houria'
_publ_section_title
;
 Cu~3~NbS~4~
;
_journal_coeditor_code           WM6081
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i180
_journal_page_last               i181
_journal_volume                  61
_journal_year                    2005
_chemical_formula_analytical     ?
_chemical_formula_iupac          'Cu3 S4 Nb1'
_chemical_formula_moiety         'Cu3 Nb1 S4'
_chemical_formula_structural     ?
_chemical_formula_sum            'Cu3 Nb1 S4'
_chemical_formula_weight         411.78
_chemical_name_common            ?
_chemical_name_systematic
;
tricopper tetrathioniobate(V)
;
_space_group_IT_number           215
_symmetry_space_group_name_Hall  'P -4 2 3'
_symmetry_space_group_name_H-M   'P -4 3 m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            1
_cell_length_a                   5.5001(6)
_cell_length_b                   5.5001(6)
_cell_length_c                   5.5001(6)
_cell_volume                     166.38(2)
_[local]_cod_data_source_file    wm6081Isup2.hkl
_[local]_cod_data_source_block   I
_[local]_cod_cif_authors_sg_Hall P_-4_2_3
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'z, x, y'
'y, z, x'
'x, z, y'
'y, x, z'
'z, y, x'
'x, -y, -z'
'z, -x, -y'
'y, -z, -x'
'x, -z, -y'
'y, -x, -z'
'z, -y, -x'
'-x, y, -z'
'-z, x, -y'
'-y, z, -x'
'-x, z, -y'
'-y, x, -z'
'-z, y, -x'
'-x, -y, z'
'-z, -x, y'
'-y, -z, x'
'-x, -z, y'
'-y, -x, z'
'-z, -y, x'
loop_
_refln_index_h
_refln_index_k
_refln_index_l
_refln_f_obs
_refln_F_calc
_refln_F_sigma
0 0 1 596 564 4
0 0 2 552 525 2
0 0 4 847 892 14
0 0 5 337 323 6
0 0 6 228 220 4
0 0 7 110 110 2
0 0 10 101 93 3
0 1 6 245 248 3
0 2 1 462 481 5
0 2 5 197 197 4
0 2 6 532 568 5
0 2 10 232 226 6
0 3 0 415 374 4
0 3 10 121 121 6
0 4 1 371 379 2
0 4 3 273 263 3
0 4 9 121 121 4
0 5 1 54 54 3
0 5 3 55 54 2
0 5 8 153 148 4
0 6 3 247 246 3
0 6 4 164 161 2
0 6 5 136 133 2
0 7 1 47 51 6
0 7 2 202 208 3
0 7 3 49 51 4
0 7 6 152 148 5
0 7 8 68 67 5
0 8 0 397 389 7
0 8 4 311 307 5
0 8 6 91 89 6
0 9 0 145 141 5
0 10 1 121 119 8
0 10 4 76 78 4
1 1 0 88 76 1
1 1 1 566 604 2
1 1 6 115 118 3
1 1 7 143 152 4
1 1 9 99 106 4
1 1 10 80 89 5
1 2 1 95 87 2
1 2 6 240 251 5
1 3 0 65 56 5
1 3 1 395 416 5
1 4 1 105 103 2
1 4 10 100 100 4
1 5 1 282 294 3
1 5 3 210 214 2
1 5 4 79 80 2
1 5 8 84 82 4
1 5 9 75 73 7
1 6 3 105 106 2
1 6 7 66 67 5
1 7 3 154 157 4
1 7 5 98 97 5
1 7 7 83 82 5
1 8 0 190 186 4
1 8 1 104 111 7
1 8 3 97 99 4
1 8 4 155 153 5
1 8 6 116 115 6
1 9 3 74 74 3
1 10 3 80 83 4
2 2 0 1081 1034 22
2 2 1 447 460 7
2 2 2 420 422 2
2 2 3 310 308 3
2 2 4 695 760 10
2 2 5 276 285 5
2 2 6 181 186 4
2 2 7 96 102 2
2 2 9 124 131 2
2 2 10 78 86 6
2 3 0 436 422 7
2 3 1 75 69 4
2 3 10 91 96 3
2 4 0 333 331 3
2 4 1 316 324 4
2 4 3 307 310 3
2 4 6 423 436 5
2 4 7 174 175 4
2 5 1 64 66 2
2 5 3 59 62 2
2 5 4 155 158 3
2 6 3 183 184 3
2 6 5 190 191 3
2 6 6 115 115 2
2 6 8 228 221 4
2 7 5 46 50 4
2 8 0 127 130 3
2 8 1 157 165 7
2 8 2 334 345 3
2 8 3 167 167 4
2 8 4 106 106 3
2 8 5 98 98 3
2 8 7 108 107 6
2 10 1 119 122 8
3 3 0 60 55 3
3 3 1 348 357 3
3 3 2 71 68 2
3 3 3 268 259 1
3 3 7 118 111 4
3 3 8 93 91 3
3 3 9 82 83 5
3 3 10 73 73 4
3 4 1 96 97 3
3 4 3 90 87 3
3 4 7 61 60 3
3 5 3 212 210 3
3 5 8 74 74 4
3 6 3 98 97 4
3 6 5 82 81 3
3 6 7 60 62 4
3 6 8 119 117 5
3 7 5 106 105 3
3 8 0 142 141 5
3 8 4 121 118 3
4 4 0 633 653 11
4 4 1 275 282 3
4 4 2 217 218 5
4 4 3 206 204 2
4 4 4 492 494 2
4 4 5 214 208 4
4 4 6 131 127 2
4 4 9 101 104 3
4 5 0 258 255 1
4 5 3 76 77 3
4 5 8 124 124 3
4 6 1 193 197 4
4 6 3 202 199 2
4 6 5 115 112 2
4 6 7 127 125 4
4 7 0 95 96 3
4 7 1 63 66 3
4 7 4 87 84 3
4 8 4 248 245 3
4 8 6 72 75 5
4 9 2 50 50 5
4 9 3 46 44 5
5 5 1 180 180 3
5 5 2 56 58 3
5 5 3 137 129 2
5 5 4 67 66 3
5 5 5 124 119 2
5 5 6 71 68 3
5 5 7 69 65 4
5 6 1 89 89 2
5 6 6 134 133 3
5 7 0 47 45 4
5 8 4 65 64 4
6 6 0 352 343 5
6 6 1 168 166 8
6 6 3 130 127 2
6 6 4 277 273 3
6 6 6 84 81 3
6 7 2 79 79 4