#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 14/11/2020

data_5yOhtAoR
_audit_creation_date            2020-11-14
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        98
_citation_page_first            .
_citation_page_last             .
_citation_article_id            134413
_citation_year                  2018
_citation_DOI                   10.1103/PhysRevB.98.134413

loop_
_citation_author_name
"S. Chattopadhyay"
"V. Simonet"
"V. Skumryev"
"A.A. Mukhin"
"V.Y. Ivanov"
"M.I. Aroyo"
"D.Z. Dimitrov"
"M. Gospodinov"
"E. Ressouche"



_atomic_positions_source_database_code_ICSD  279601
_atomic_positions_source_other               .

_transition_temperature  85
_experiment_temperature  13

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

_exptl_crystal_magnetic_properties_details
;
NSD
Position structure, including unit cell, from a model at room temperature retrieved from the ICSD, except for the Mn coordinates.
See #0.30 for another model of this phase where the Yb moments are not ordered.
;

_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  185.199
_space_group_magn.name_BNS  "P 6_3' c' m"
_cell_length_a             6.05840
_cell_length_b             6.05840
_cell_length_c             11.35610
_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,-x+y,z,+1
5 x-y,-y,z,+1
6 y,x,z,+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+y,y,z+1/2,-1
11 -y,-x,z+1/2,-1
12 x,x-y,z+1/2,-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
Yb1 Yb 0.00000 0.00000 0.27336
Yb2 Yb 0.33333 0.66667 0.23061
Mn1 Mn 0.3350 0.00000 0.00000
O1 O 0.30300 0.00000 0.16170
O2 O 0.36100 0.00000 0.83420
O3 O 0.00000 0.00000 0.97320
O4 O 0.33333 0.66667 0.01920

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
Yb1 0.00000 0.00000 0.00000 0,0,0     0.0
Yb2 0.00000 0.00000 1.15(5) 0,0,mz    1.15(5)
Mn1 1.97 3.94 0.00000 mx,2mx,0        3.41(4)

