#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 04/18/2021 

data_5yOhtAoR
_audit_creation_date            2021-04-18
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "J. Phys.: Condens. Matter"
_citation_journal_volume        33
_citation_page_first            .
_citation_page_last             .
_citation_article_id            155801
_citation_year                  2021
_citation_DOI                   10.1088/1361-648X/abde66

loop_
_citation_author_name
"P. Prakash"
"S K Mishra"
"C L Prajapat"
"A Das"

_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_temperature_position_structure         300
_temperature_atom_positions             .              
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_transition_temperature     50(5)
_experiment_temperature     2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM4  1  1  .   primary  4  .

_exptl_crystal_magnetic_properties_details
; 
NPD
Position structure from a determination at 300K.
Relative signs of the Ho and Mn moments are not specified in the publication. Here, they have been inferred from a figure of the paper.
The moment at the mixed Mn/Fe is an average moment of the site. Here because of format convenience is assigned separately to both atoms.
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
1-dim irrep as primary
;

_parent_space_group.name_H-M_alt  'P 6_3 c m'
_parent_space_group.IT_number                       185
_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  185.200
_space_group_magn.name_BNS  "P 6_3' c  m'"
_space_group_magn.point_group_name  "6'mm'"
_space_group_magn.point_group_number  "25.3.93"
_cell_length_a                 6.137
_cell_length_b                 6.137
_cell_length_c                 11.412
_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 -y,x-y,z,+1 
3 -x+y,-x,z,+1 
4 -x+y,y,z+1/2,+1 
5 -y,-x,z+1/2,+1 
6 x,x-y,z+1/2,+1 
7 x-y,x,z+1/2,-1 
8 -x,-y,z+1/2,-1 
9 y,-x+y,z+1/2,-1 
10 -x,-x+y,z,-1 
11 x-y,-y,z,-1 
12 y,x,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
Ho1 Ho 0.00000 0.00000 0.278 1
Ho2 Ho 0.33333 0.66667 0.234 1
Mn1 Mn 0.322 0.00000 0.00000 0.95
Fe1 Fe 0.322 0.00000 0.00000 0.05
O1 O 0.305 0.00000 0.161 1
O2 O 0.642 0.00000 0.342 1
O3 O 0.00000 0.00000 0.481 1
O4 O 0.33333 0.66667 0.017 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
Ho1 0.0 0.0  3.8(2) 0,0,mz     3.8(2)
Ho2 0.0 0.0 -1.1(1) 0,0,mz     1.1(1)
Mn1 2.97(3) 0.0 0.0 mx,0,mz    2.97(3)
Fe1 2.97(3) 0.0 0.0 mx,0,mz    2.97(3)

