#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 28/02/2021 

data_5yOhtAoR
_audit_creation_date            2021-02-28
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "AIP Advances"
_citation_journal_volume        9
_citation_page_first            .
_citation_page_last             .
_citation_article_id            025110
_citation_year                  2019
_citation_DOI                   10.1063/1.5082386

loop_
_citation_author_name
"J. Singh"
"A. Agarwal"
"S. Sanghi"
"P. Prakash"
"A. Das"
"C. L. Prajapat"
"M. Rangi"

_atomic_positions_source_database_code_ICSD  236000
_atomic_positions_source_other               .

_transition_temperature  ?
_experiment_temperature  6

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM1  1  1  .  primary  1  .
mGM3  2  2  special  primary  2  .

_exptl_crystal_magnetic_properties_details
;
NPD
Transition temperature above 300K
The moment component on the ab plane undetermined. Here a direction of maximal symmetry is arbitrarily chosen.
FM along a
;

_active_magnetic_irreps_details
;
1k magnetic structure
Two irreps involved. 
The irrep mGM3 is sufficient for the magnetic symmetry break. But the magnitude of the mGM1 arrangement is the larger one and must also be considered as a primary order parameter.
The relative sign of the mx and mz Fe moment components is arbitrary. It corresponds to equivalent domain related configurations.
;

_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  9.37
_space_group_magn.name_BNS  "C c"
_cell_length_a             5.55310
_cell_length_b             5.55310
_cell_length_c             13.76700
_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
Bi1 Bi 0.00000 0.00000 0.22200 0.8
Ho1 Ho 0.00000 0.00000 0.22200 0.2
Fe1 Fe 0.00000 0.00000 0.00000 1.
O1_1 O 0.88800 0.64930 0.43690 1.
O1_2 O  0.35070 0.23870 0.43690 1.
O1_3 O  0.76130 0.11200 0.43690 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
_atom_site_moment.magnitude
Fe1 -1.3(2) 0.00000 4.7(2) mx,my,mz 4.88

