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#$Date: 2015-10-21 18:58:43 +0200 (Wed 21 de Oct de 2015) $
#$Revision: 169480 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/02/1540241.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_1540241
loop_
_publ_author_name
'Kim, S.-J.'
'Franzen, H.F.'
_publ_section_title
;
 The crystal structure of a new phase in the Y - Se system
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              L29
_journal_page_last               L32
_journal_volume                  138
_journal_year                    1988
_chemical_formula_sum            'Se7 Y4.68'
_chemical_name_systematic        'Se7 Y5'
_space_group_IT_number           8
_symmetry_space_group_name_Hall  'C -2y'
_symmetry_space_group_name_H-M   'C 1 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.82
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   13.213
_cell_length_b                   3.949
_cell_length_c                   12.035
_cell_volume                     607.074
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Kim_JCOMAH_1988_561.cif
_cod_data_source_block           Se7Y4.68
_cod_original_cell_volume        607.0741
_cod_database_code               1540241
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-y,z
x+1/2,y+1/2,z
x+1/2,-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
Y3 Y 0.8829 0 0.0786 0.86 0.0
Se3 Se 0.962 0 0.7185 1 0.0
Se2 Se 0.2597 0 0.1509 1 0.0
Se7 Se 0.6598 0 0.5532 1 0.0
Se6 Se 0.5106 0 0.0182 1 0.0
Y1 Y 0 0 0.5 0.97 0.0
Se4 Se 0.74 0 0.8538 1 0.0
Y4 Y 0.1119 0 0.9259 0.89 0.0
Y2 Y 0.6928 0 0.3095 0.96 0.0
Se5 Se 0.34 0 0.4523 1 0.0
Se1 Se 0.0376 0 0.2857 1 0.0
Y5 Y 0.3012 0 0.6951 1 0.0
