#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 14/03/2020


data_5yOhtAoR
_audit_creation_date            2020-03-14
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "J. Am. Chem. Soc."
_citation_journal_volume        139
_citation_page_first            1520
_citation_page_last             1531
_citation_article_id            ?
_citation_year                  2017
_citation_DOI                   10.1021/jacs.6b11128

loop_
_citation_author_name
"H. Niu"
"M.J. Pitcher"
"A.J. Corkett"
"S. Ling"
"P. Mandal"
"M. Zanella"
"K. Dawson"
"P. Stamenov"
"D. Batuk"
"A.M. Abakumov"
"C.L. Bull"
"R.I. Smith"
"C.A. Murray"
"S.J. Day"
"B. Slater"
"F. Cora"
"J.B. Claridge"
"M.J. Rosseinsky"




_atomic_positions_source_database_code_ICSD  432419
_atomic_positions_source_other               .

_transition_temperature  408
_experiment_temperature  293

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM3  2  2  special  primary  4  .
mGM2  1  1  .   secondary   2   no

_exptl_crystal_magnetic_properties_details
;
NPD
Corundum type polymorph
;

_active_magnetic_irreps_details
;
1k magnetic structure
2-dim irrep along a special direction as primary
Weak FM on the plane ortogonal to the direction of the AFM spin arrangement
Linear Magnetoelectricity
;

_parent_space_group.name_H-M_alt  'R 3 c'
_parent_space_group.IT_number                       161
_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  '1/3a+2/3b+2/3c,-a,-1/3a-2/3b+1/3c;1/5,9/10,0'



_space_group_magn.number_BNS  9.39
_space_group_magn.name_BNS  "C c'"
_cell_length_a             5.01870
_cell_length_b             5.01870
_cell_length_c             13.58790
_cell_angle_alpha          90.00
_cell_angle_beta           90.00
_cell_angle_gamma          120.00

loop_
_space_group_symop_magn_operation.id
_space_group_symop_magn_operation.xyz
1 x,y,z,+1
2 -x+y+1/3,y+2/3,z+1/6,-1

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1
2 x+1/3,y+2/3,z+2/3,+1
3 x+2/3,y+1/3,z+1/3,+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 0.00000 0.00000 0.00000 0.32
Fe1 Fe 0.00000 0.00000 0.00000 0.68
Ga2 Ga 0.00000 0.00000 0.28919 0.68
Fe2 Fe 0.00000 0.00000 0.28919 0.32
O1_1 O 0.30263 0.99540 0.89200 1.
O1_2 O  0.00460 0.30723 0.89200 1.
O1_3 O  0.69277 0.69737 0.89200 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
Fe1 2.15(2) 0.00000 0.00000 mx,my,mz
Fe2 1.03(3) 0.00000 0.00000 mx,my,mz


