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#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/49/1524915.cif $
#------------------------------------------------------------------------------
#
# 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_1524915
loop_
_publ_author_name
'Meerschaut, A.'
'Gressier, P.'
'Guemas, L.'
'Rouxel, J.'
_publ_section_title
;
 Structural determination of a new one-dimensional niobium chalcogenide:
 Fe Nb3 Se10
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              1035
_journal_page_last               1040
_journal_volume                  16
_journal_year                    1981
_chemical_formula_sum            'Fe Nb3 Se10'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 114.46
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   9.213
_cell_length_b                   3.482
_cell_length_c                   10.292
_cell_volume                     300.532
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Meerschaut_MRBUAC_1981_507.cif
_cod_data_source_block           Fe1Nb3Se10
_cod_original_cell_volume        300.5319
_cod_original_formula_sum        'Fe1 Nb3 Se10'
_cod_database_code               1524915
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z
-x,-y,-z
x,-y-1/2,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Nb1 Nb 0.275 0.25 0.3639 1 0.0
Se1 Se 0.4887 0.75 0.3642 1 0.0
Fe1 Fe 0.448 0.75 0.0922 0.5 0.0
Se4 Se 0.243 0.25 0.0893 1 0.0
Se3 Se 0.0388 0.75 0.2421 1 0.0
Se2 Se 0.1608 0.75 0.4927 1 0.0
Se5 Se 0.6605 0.25 0.1654 1 0.0
Nb2 Nb 0.448 0.75 0.0922 0.5 0.0
