#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/02/2021 

data_5yOhtAoR
_audit_creation_date            2021-11-02
_audit_creation_method          "Bilbao Crystallographic Server"

_chemical_name_systematic
;
;
_chemical_name_common                    ?
_chemical_formula_moiety                 ?
_chemical_formula_structural             ?
_chemical_formula_analytical             ?
_chemical_formula_iupac                  ?
_chemical_formula_sum                    “Yb Mn Sb2”
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        104
_citation_page_first            .
_citation_page_last             .
_citation_article_id            L161103
_citation_year                  2021
_citation_DOI                   10.1103/PhysRevB.104.L161103

loop_
_citation_author_name
"J.-R. Soh"
"S. M. Tobin"
"H. Su"
"I. Zivkovic"
"B. Ouladdiaf"
"A. Stunault"
"J. A. Rodriguez-Velamazan"
"K. Beauvois"
"Y. Guo"
"A. T. Boothroyd"

_temperature_position_structure         400
_temperature_atom_positions             .
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature     345
_experiment_temperature     2

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

_exptl_crystal_magnetic_properties_details
;
Polarized and unpolarized NSD
Position structure, including cell parameters, is from a determination at 400K. It is used here under the "origin 1" setting, in order to be coincident with the figures of the paper.
A probable structural distortion of the paramagnetic structure into the Pnma space group is mentioned and is disregarded in the proposed model for the magnetic structure.
;

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

_parent_space_group.name_H-M_alt  'P 4/n m m'
_parent_space_group.IT_number                       129
_parent_space_group.transform_Pp_abc  'a,b,c;1/4,-1/4,0'

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;1/4,-1/4,0'


_space_group_magn.number_BNS  129.416
_space_group_magn.name_BNS  "P 4'/n' m' m"
_space_group_magn.point_group_name  "4'/m'm'm"
_space_group_magn.point_group_number  "15.5.57"
_cell_length_a                 4.31000
_cell_length_b                 4.31000
_cell_length_c                 10.85000
_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+1/2,-y+1/2,-z,+1 
3 -x+1/2,y+1/2,-z,+1 
4 -x,-y,z,+1 
5 y,-x,-z,+1 
6 -y,x,-z,+1 
7 -y+1/2,-x+1/2,z,+1 
8 y+1/2,x+1/2,z,+1 
9 -y+1/2,x+1/2,z,-1 
10 y+1/2,-x+1/2,z,-1 
11 y,x,-z,-1 
12 -y,-x,-z,-1 
13 -x+1/2,-y+1/2,-z,-1 
14 -x,y,z,-1 
15 x,-y,z,-1 
16 x+1/2,y+1/2,-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 0.50000 0.00000 0.72740 1
Mn1 Mn 0.00000 0.00000 0.00000 1
Sb1 Sb 0.00000 0.00000 0.50000 1
Sb2 Sb 0.50000 0.00000 0.15950 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
_atom_site_moment.spherical_azimuthal
_atom_site_moment.spherical_polar
Mn1 0.0 0.0 3.48(9) 0,0,mz 3.48(9) ? ?

