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#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/63/9016374.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_9016374
loop_
_publ_author_name
'Tegel, M.'
'Rotter, M.'
'Weiss, V.'
'Schappacher, F. M.'
'Pottgen, R.'
'Johrendt, D.'
_publ_section_title
;
 Structural and magnetic phase transitions in the ternary iron arsenides SrFe2As2 and EuFe2As2
 Note: T = 297 K
;
_journal_name_full               'Journal of Physics: Condensed Matter'
_journal_page_first              452201_1
_journal_page_last               452201_5
_journal_volume                  20
_journal_year                    2008
_chemical_compound_source        Synthetic
_chemical_formula_sum            'As2 Fe2 Sr'
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.9243
_cell_length_b                   3.9243
_cell_length_c                   12.3644
_cell_formula_units_Z            2
_cell_volume                     190.413
_database_code_amcsd             0018356
_exptl_crystal_density_diffrn    6.090
_cod_original_formula_sum        'Sr Fe2 As2'
_cod_database_code               9016374
_amcsd_formula_title             SrFe2As2
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,1/2+z
-y,-x,z
1/2-y,1/2-x,1/2+z
y,x,-z
1/2+y,1/2+x,1/2-z
y,-x,-z
1/2+y,1/2-x,1/2-z
-y,x,z
1/2-y,1/2+x,1/2+z
x,-y,z
1/2+x,1/2-y,1/2+z
-x,y,-z
1/2-x,1/2+y,1/2-z
x,y,-z
1/2+x,1/2+y,1/2-z
-x,-y,z
1/2-x,1/2-y,1/2+z
y,x,z
1/2+y,1/2+x,1/2+z
-y,-x,-z
1/2-y,1/2-x,1/2-z
-y,x,-z
1/2-y,1/2+x,1/2-z
y,-x,z
1/2+y,1/2-x,1/2+z
-x,y,z
1/2-x,1/2+y,1/2+z
x,-y,-z
1/2+x,1/2-y,1/2-z
-x,-y,-z
1/2-x,1/2-y,1/2-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Sr 0.00000 0.00000 0.00000 0.01290
Fe 0.50000 0.00000 0.25000 0.00720
As 0.00000 0.00000 0.36000 0.00860
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0018356
