#------------------------------------------------------------------------------
#$Date: 2024-05-23 11:45:01 +0200 (Thu 23 de May de 2024) $
#$Revision: 292002 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/49/9014912.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_9014912
loop_
_publ_author_name
'Bertaut, E.'
'Bassi, G.'
'Buisson, G.'
'Chappert, J.'
'Delapalme, A.'
'Pauthenet, R.'
'Rebouillat, H.'
'Aleonard, R.'
_publ_section_title
;
 Etude par effet Moessbauer, rayons X, diffraction neutronique et
 mesures magnetiques de Fe1.15 Ga.85 O3
 _cod_database_code 1008838
;
_journal_name_full               'Journal de Physique'
_journal_page_first              433
_journal_page_last               448
_journal_paper_doi               10.1051/jphys:01966002707-8043300
_journal_volume                  27
_journal_year                    1966
_chemical_formula_sum            'Fe2.31 Ga1.69 O6'
_space_group_IT_number           33
_symmetry_space_group_name_Hall  'P -2n -2ac'
_symmetry_space_group_name_H-M   'P c 21 n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.75
_cell_length_b                   9.4
_cell_length_c                   5.07
_cell_formula_units_Z            4
_cell_volume                     417.008
_database_code_amcsd             0016706
_exptl_crystal_density_diffrn    5.461
_cod_duplicate_entry             1008838
_cod_database_code               9014912
_amcsd_formula_title             'Fe1.15 Ga0.85 O3'
loop_
_space_group_symop_operation_xyz
x,y,z
1/2-x,y,1/2+z
1/2+x,1/2+y,1/2-z
-x,1/2+y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Fe1 -0.03500 0.12400 0.67000 0.90000
Fe2 -0.15700 0.32700 0.18000 0.87000
Fe3 0.16100 0.10000 0.18000 0.54000
Ga1 0.16100 0.10000 0.18000 0.46000
Ga2 -0.15000 -0.08600 0.17000 1.00000
Ga3 -0.03500 0.12400 0.67000 0.10000
Ga4 -0.15700 0.32700 0.18000 0.13000
O1 0.06100 -0.02000 0.01000 1.00000
O2 0.18000 0.00000 0.52000 1.00000
O3 0.17000 0.49000 0.50000 1.00000
O4 0.00000 0.23000 0.35000 1.00000
O5 0.16000 0.20000 -0.17000 1.00000
O6 0.19000 0.78000 0.14000 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0016706
