#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 03/02/2020 
# Wrong label Mg of the atom Zn1 has been corrected (05/16/2023)

data_5yOhtAoR
_audit_creation_date            2020-02-03
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "PHYSICAL REVIEW MATERIALS"
_citation_journal_volume        3
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            124406
_citation_year                  2019
_citation_DOI                   10.1103/PhysRevMaterials.3.124406

loop_
_citation_author_name
"Y. Haraguchi"
"K. Nawa"
"C. Michioka"
"H. Ueda"
"A. Matsuo"
"K. Kindo"
"M. Avdeev"
"T. J. Sato"
"K. Yoshimura"

_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature  17.4
_experiment_temperature  3

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mF1-  3  1  .  primary  3  .

_exptl_crystal_magnetic_properties_details
;
NPD
Alternative possible 2k and 3k models are not discussed
The structure at two higher temperatures is also reported
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (2 possible)
;

_parent_space_group.name_H-M_alt  'R -3'
_parent_space_group.IT_number                       148
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [1/2 1/2 0]

_parent_space_group.child_transform_Pp_abc  '2a,2b,c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  '1/6a-1/6b+2/3c,-1/6a+1/6b+1/3c,-1/3a-2/3b+2/3c;0,1/4,0'



_space_group_magn.number_BNS  2.7
_space_group_magn.name_BNS  "P_S -1"
_cell_length_a             9.91950
_cell_length_b             9.91950
_cell_length_c             13.7535
_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+1/2,-z,+1 

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1 
2 x+1/6,y+5/6,z+2/3,+1 
3 x+1/3,y+2/3,z+1/3,+1 
4 x+1/2,y+1/2,z,+1 
5 x+2/3,y+1/3,z+2/3,+1 
6 x+5/6,y+1/6,z+1/3,+1 
7 x+5/6,y+2/3,z+1/3,-1 
8 x,y+1/2,z,-1 
9 x+1/6,y+1/3,z+2/3,-1 
10 x+1/3,y+1/6,z+1/3,-1 
11 x+1/2,y,z,-1 
12 x+2/3,y+5/6,z+2/3,-1 

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Zn1 Zn 0.00000 0.00000 0.36722
Mn1 Mn 0.00000 0.00000 0.16084
O1_1 O 0.16148 0.01413 0.24401
O1_2 O  0.98587 0.14736 0.24401
O1_3 O  0.85264 0.83852 0.24401

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
Mn1 0.99 0.88 1.75 mx,my,mz

