#------------------------------------------------------------------------------
#$Date: 2024-05-29 16:00:33 +0200 (Wed 29 de May de 2024) $
#$Revision: 292100 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/74/9017433.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# 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_9017433
loop_
_publ_author_name
'Lavina, B.'
'Downs, R. T.'
'Sinogeikin, S.'
_publ_section_title
;
 The structure of ferroselite, FeSe2, at pressures up to 46 GPa
 and temperatures down to 50 K: A single-crystal micro-diffraction analysis
 Note: P = 24.4 GPa
;
_journal_name_full               Crystals
_journal_page_last               289
_journal_paper_doi               10.3390/cryst8070289
_journal_volume                  8
_journal_year                    2018
_chemical_compound_source
'Paradox Valley, Uravan District, Montrose County, Colorado, USA'
_chemical_formula_sum            'Fe Se2'
_chemical_name_mineral           Ferroselite
_space_group_IT_number           58
_space_group_name_Hall           '-P 2 2n'
_space_group_name_H-M_alt        'P n n m'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.555
_cell_length_b                   5.524
_cell_length_c                   3.4090
_cell_formula_units_Z            2
_cell_volume                     85.777
_database_code_amcsd             0020714
_diffrn_ambient_pressure         2.44e+07
_exptl_crystal_density_diffrn    8.277
_cod_data_source_file            inputs/fixed/downloads/14/14905.cif
_cod_data_source_block           14905
_cod_database_code               9017433
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2-y,1/2+z
1/2-x,1/2+y,1/2-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
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Fe 0.00000 0.00000 0.00000 0.00660
Se 0.21140 0.36830 0.00000 0.00570
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020714
