#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 28/07/2021 

data_5yOhtAoR
_audit_creation_date            2021-07-28
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        103
_citation_page_first            .
_citation_page_last             .
_citation_article_id            174102
_citation_year                  2021
_citation_DOI                   10.1103/PhysRevB.103.174102

loop_
_citation_author_name
"Y. S. Tang"
"S. M. Wang"
"L. Lin"
"V. O. Garlea"
"T. Zou"
"S. H. Zheng"
"H.-M. Zhang"
"J. T. Zhou"
"Z. L. Luo"
"Z. B. Yan"
"S. Dong"
"T. Charlton"
"J.-M. Liu"

_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  165
_experiment_temperature  125

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM2  1  1  .  primary 2  .

_exptl_crystal_magnetic_properties_details
;
NPD
Positional structure from a determination at 300K
Other magnetic phases at lower temperatures
;

_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  185.201
_space_group_magn.name_BNS  "P 6_3 c' m'"
_cell_length_a             5.86050
_cell_length_b             5.86050
_cell_length_c             11.70610
_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,x,z+1/2,+1 
3 -y,x-y,z,+1 
4 -x,-y,z+1/2,+1 
5 -x+y,-x,z,+1 
6 y,-x+y,z+1/2,+1 
7 -x+y,y,z+1/2,-1 
8 -y,-x,z+1/2,-1 
9 x,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
Yb1 Yb 0.00000 0.00000 0.26847 0.42
Sc1 Sc 0.00000 0.00000 0.26847 0.58
Yb2 Yb 0.33333 0.66667 0.23632 0.42
Sc2 Sc 0.33333 0.66667 0.23632 0.58
Fe1 Fe 0.33333 0.00000 0.00000 1.
O1 O 0.33061 0.00000 0.17040 1.
O2 O 0.63231 0.00000 0.33802 1.
O3 O 0.00000 0.00000 0.47629 1.
O4 O 0.33333 0.66667 0.01236 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 2.51100 0.00000 0.78300 mx,0,mz 2.63

