#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 05/02/2019

data_5yOhtAoR
_audit_creation_date            2019-02-05
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        96
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            214439
_citation_year                  2017
_citation_DOI                   10.1103/PhysRevB.96.214439

loop_
_citation_author_name
"R. Saha"
"R. Dhanya"
"C. Bellin"
"K. Beneut"
"A. Bhattacharyya"
"A. Shukla"
"C. Narayana"
"E. Suard"
"J. Rodriguez-Carvajal"
"A. Sundaresan"



_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature  94
_experiment_temperature  30

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM5  3  3  special  primary  3  .

_exptl_crystal_magnetic_properties_details
;
NPD
Ferrimagnetic
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (4 possible)
3-dim primary irrep
6 different possible MSGs for the active primary irrep.
The maximal MSSG for the identified active irrep, which allows FM, was assumed.
;

_parent_space_group.name_H-M_alt  'F -4 3 m'
_parent_space_group.IT_number                       216
_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  '1/2a-1/2b,1/2a+1/2b,c;0,0,0'



_space_group_magn.number_BNS  119.319
_space_group_magn.name_BNS  "I -4 m' 2'"
_cell_length_a             8.27780
_cell_length_b             8.27780
_cell_length_c             8.27780
_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,-y,z,+1
3 y,-x,-z,+1
4 -y,x,-z,+1
5 x,-y,-z,-1
6 -x,y,-z,-1
7 y,x,z,-1
8 -y,-x,z,-1

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

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Li1 Li 0.00000 0.00000 0.00000
Fe1 Fe 0.75000 0.75000 0.75000
Cr1 Cr 0.37260 0.37260 0.37260
O1 O 0.13720 0.13720 0.13720
O2 O 0.61710 0.61710 0.61710

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 0.00000 0.00000 -2.54(16) 0,0,mz
Cr1 0.00000 0.00000 0.28(11) mx,mx,mz
