#Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 06/08/2018 13:03:38
# Database entry: 0.38 GaFeO3
# Cif-like file for the case 0.38


data_5yOhtAoR
_audit_creation_date            2018-06-08
_audit_creation_method          "Bilbao Crystallographic Server"

_chemical_name_systematic
;
;
_chemical_name_common                    ?
_chemical_formula_moiety                 ?
_chemical_formula_structural             ?
_chemical_formula_analytical             ?
_chemical_formula_iupac                  ?
_chemical_formula_sum                    'Ga Fe O3'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        70
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            064426
_citation_year                  2004
_citation_DOI                   10.1103/physrevb.70.064426

loop_
_citation_author_name
"T. Arima"
"D. Higashiyama"
"Y. Kaneko"
"J.P. He"
"T. Goto"
"S. Miyasaka"
"T. Kimura"
"K. Oikawa"
"T. Kamiyama"
"R. Kumai"
"Y. Tokura"






_atomic_positions_source_database_code_ICSD   151722
_atomic_positions_source_other               "."

_transition_temperature     200
_experiment_temperature     4

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM3 1 1 . primary . .

_exptl_crystal_magnetic_properties_details
;
NPD
Ga1 and Ga2 sites have a small Fe-occupation
and reversely Fe3 and Fe4 have small Ga occupations
The magnetic moment at the Ga2 site corresponds to the
Fe atoms partially occupying this site.
Ferrimagnetic along a (c in the original non-standard Pc21n setting)
Ferroelectric- Paraelectric parent phase: Pnna. AF and Ferroelectric primary modes. Induced Ferromagnetic mode (trilinear coupling)
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
;

_parent_space_group.name_H-M_alt  'P  n  a  2_1'
_parent_space_group.IT_number                       33
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [0 0 0]

_parent_space_group.child_transform_Pp_abc  'a,b,c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  'a,b,c;0,0,0'


_space_group_magn.number_BNS  33.147
_space_group_magn.name_BNS  "P  n  a'  2_1'"
_space_group_magn.point_group_name  "m'm2'"
_space_group_magn.point_group_number  "7.3.22"
_cell_length_a                 5.06720
_cell_length_b                 8.71930
_cell_length_c                 9.36840
_cell_angle_alpha              90.00
_cell_angle_beta               90.00
_cell_angle_gamma              90.00

loop_
_space_group_symop_magn_operation.id
_space_group_symop_magn_operation.xyz
1 x,y,z,+1
2 -x+1/2,y+1/2,z+1/2,+1
3 -x,-y,z+1/2,-1
4 x+1/2,-y+1/2,z,-1

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ga1 Ga 0.17810 0.15000 0.00000 1
Ga2 Ga 0.81060 0.15930 0.30730 1
Fe3 Fe 0.18860 0.15380 0.58310 1
Fe4 Fe 0.67950 0.03460 0.79980 1
O1 O 0.97160 0.32280 0.42620 1
O2 O 0.51420 0.48640 0.43110 1
O3 O 0.65410 0.99790 0.20220 1
O4 O 0.14800 0.15930 0.19740 1
O5 O 0.84370 0.16950 0.67170 1
O6 O 0.51660 0.17360 0.93830 1

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
Ga1 0.0 0.0 0.0 mx,my,mz
Ga2 -4.7 0.0 0.0 mx,my,mz
Fe3 3.9 0.0 0.0 mx,my,mz
Fe4 -4.5 0.0 0.0 mx,my,mz

