#------------------------------------------------------------------------------
#$Date: 2024-05-02 12:48:35 +0200 (Thu 02 de May de 2024) $
#$Revision: 291455 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/79/9007972.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_9007972
loop_
_publ_author_name
'Liao, W.'
'Liu, X.'
'Dronskowski, R.'
_publ_section_title
;
 Europium(II) bromide iodide
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i69
_journal_page_last               i71
_journal_paper_doi               10.1107/S160053680401075X
_journal_volume                  60
_journal_year                    2004
_chemical_formula_structural     EuIBr
_chemical_formula_sum            'Br Eu I'
_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                   8.3723
_cell_length_b                   4.7404
_cell_length_c                   9.799
_cell_formula_units_Z            4
_cell_volume                     388.903
_database_code_amcsd             0010430
_exptl_crystal_density_diffrn    6.128
_cod_original_formula_sum        'Eu I Br'
_cod_database_code               9007972
_amcsd_formula_title             EuIBr
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_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Eu 0.02400 0.02190 0.02670 0.00000 0.00280 0.00000
I 0.02470 0.02380 0.02450 0.00000 -0.00050 0.00000
Br 0.02850 0.03150 0.03370 0.00000 0.00140 0.00000
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Eu 0.72653 0.75000 0.37198 0.02420
I 0.02693 0.25000 0.33271 0.02430
Br 0.64420 0.25000 0.56420 0.03120
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010430
