#------------------------------------------------------------------------------
#$Date: 2024-05-02 12:48:35 +0200 (Thu 02 de May de 2024) $
#$Revision: 291455 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/76/9007653.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_9007653
loop_
_publ_author_name
'King, Jr, H. E.'
'Prewitt, C. T.'
_publ_section_title
;
 High-pressure and high-temperature polymorphism of iron sulfides (FeS)
 Sample: T = 463 K, P = 0.0001 GPa, MnP-type structure
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1877
_journal_page_last               1887
_journal_paper_doi               10.1107/S0567740882007523
_journal_volume                  38
_journal_year                    1982
_chemical_formula_structural     FeS
_chemical_formula_sum            'Fe S'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.825
_cell_length_b                   3.4675
_cell_length_c                   6.0059
_cell_formula_units_Z            4
_cell_volume                     121.308
_database_code_amcsd             0009772
_diffrn_ambient_pressure         100
_diffrn_ambient_temperature      463
_exptl_crystal_density_diffrn    4.814
_cod_database_code               9007653
_amcsd_formula_title             FeS
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,z
-x,1/2+y,-z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2-z
1/2+x,y,1/2-z
1/2-x,-y,1/2+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 0.00350 0.25000 0.23520 0.02533
S 0.24190 0.25000 0.58130 0.01520
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0009772
