#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 19/10/2019


data_5yOhtAoR
_audit_creation_date            2019-10-19
_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            024409
_citation_year                  2019
_citation_DOI                   10.1103/PhysRevMaterials.3.024409

loop_
_citation_author_name
"Y. Sun"
"P. Hu"
"K. Shi"
"H. Wu"
"S. Deng"
"Q. Huang"
"Z. Mao"
"P. Song"
"L. Wang"
"W. Hao"
"S. Deng"
"C. Wang"




_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature  260
_experiment_temperature  5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM4+  3  3  special  primary  4  .
mGM5+  3  3  special  primary  1  .

_exptl_crystal_magnetic_properties_details
;
NPD
Structure described here in standard setting of its rombohedral symmetry, following the figure of the original reference.
;

_active_magnetic_irreps_details
;
1k magnetic structure
2 irreps active along special directions as primary irreps
FM along z
;

_parent_space_group.name_H-M_alt  'P m -3 m'
_parent_space_group.IT_number                       221
_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,b-c,a+b+c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  'a,b,c;0,0,0'



_space_group_magn.number_BNS  148.17
_space_group_magn.name_BNS  "R -3"
_cell_length_a             5.46820
_cell_length_b             5.46820
_cell_length_c             6.69720
_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,-z,+1
5 y,-x+y,-z,+1
6 x-y,x,-z,+1

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1
2 x+2/3,y+1/3,z+1/3,+1
3 x+1/3,y+2/3,z+2/3,+1

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mn1 Mn 0.50000 0.00000 0.00000 1.
Mn2 Mn 0.00000 0.00000 0.00000 0.39
Co1 Co 0.00000 0.00000 0.00000 0.61
N1 N 0.00000 0.00000 0.50000 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
Mn1 -1.41(4) 0.00000  0.21(7) mx,my,mz
Mn2 0.00000 0.00000 1.79(7) 0,0,mz
Co1 0.00000 0.00000 1.79(7) 0,0,mz

