#------------------------------------------------------------------------------
#$Date: 2023-03-26 10:09:57 +0200 (Sun, 26 Mar 2023) $
#$Revision: 282068 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/01/10/1011007.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_1011007
loop_
_publ_author_name
'Tengner, S'
_publ_section_title
;
Ueber Diselenide und Ditelluride von Eisen, Kobalt und Nickel
;
_journal_coden_ASTM              ZAACAB
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first              126
_journal_page_last               132
_journal_paper_doi               10.1002/zaac.19382390203
_journal_volume                  239
_journal_year                    1938
_chemical_formula_structural     'Fe Se2'
_chemical_formula_sum            'Fe Se2'
_chemical_name_mineral           Ferroselite
_chemical_name_systematic        'Iron selenide (1/2)'
_space_group_IT_number           58
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      58
_symmetry_space_group_name_Hall  '-P 2n 2'
_symmetry_space_group_name_H-M   'P m n n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.575
_cell_length_b                   4.791
_cell_length_c                   5.715
_cell_volume                     97.9
_database_code_amcsd             0015754
_exptl_crystal_density_diffrn    7.253
_cod_database_code               1011007
loop_
_space_group_symop_operation_xyz
x,y,z
x,-y,-z
1/2-x,1/2-y,1/2+z
1/2-x,1/2+y,1/2-z
-x,-y,-z
-x,y,z
1/2+x,1/2+y,1/2-z
1/2+x,1/2-y,1/2+z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Fe1 Fe0 2 a 0. 0. 0. 1. 0 d
Se1 Se0 4 g 0. 0.21 0.37 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Fe0 0.000
Se0 0.000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0015754
