#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/00/1530000.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_1530000
loop_
_publ_author_name
'Gleizes, A.'
'Ibers, J.A.'
'Revelli, J.'
_publ_section_title
;
 Structures of a semiconducting and a metallic phase in the Fe Y Zr Se2
 system
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              363
_journal_page_last               372
_journal_volume                  17
_journal_year                    1976
_chemical_formula_sum            'Fe0.16 Se1.94 Zr'
_chemical_name_systematic        'Fe0.16 Zr Se1.94'
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   3.763
_cell_length_b                   3.763
_cell_length_c                   6.118
_cell_volume                     75.025
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Gleizes_JSSCBI_1976_35.cif
_cod_data_source_block           Fe0.16Se1.94Zr1
_cod_original_cell_volume        75.02544
_cod_original_formula_sum        'Fe0.16 Se1.94 Zr1'
_cod_database_code               1530000
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z
x,x-y,z
-x+y,y,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
Zr1 Zr 0 0 0 1 0.0
Fe1 Fe 0 0 0.5 0.16 0.0
Se1 Se 0.3333 0.6666 0.742 0.97 0.0
