#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 26/02/2021 

data_5yOhtAoR
_audit_creation_date            2021-02-26
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Journal of Alloys and Compounds"
_citation_journal_volume        781
_citation_page_first            216
_citation_page_last             225
_citation_article_id            .
_citation_year                  2019
_citation_DOI                   10.1016/j.jallcom.2018.12.018

loop_
_citation_author_name
"S.J. Ahmed"
"C. Boyer"
"M. Niewczas"

_atomic_positions_source_database_code_ICSD  230956
_atomic_positions_source_other               .

_transition_temperature  1014
_experiment_temperature  298

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM4+  3  3  special  primary  2  .

_exptl_crystal_magnetic_properties_details
;
NPD
FM along c
For simplicity, the moment of mixed sites is assigned to only the majority atomic species on the site
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
3-dim irrep along a special direction
;

_parent_space_group.name_H-M_alt  'F m -3 m'
_parent_space_group.IT_number                       225
_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  '1/2a+1/2b,1/2a-1/2b,-c;0,0,0'



_space_group_magn.number_BNS  139.537
_space_group_magn.name_BNS  "I 4/m m' m'"
_cell_length_a             5.64060
_cell_length_b             5.64060
_cell_length_c             5.64060
_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 y,-x,z,+1 
3 -y,x,z,+1 
4 -x,-y,z,+1 
5 -x,-y,-z,+1 
6 -y,x,-z,+1 
7 y,-x,-z,+1 
8 x,y,-z,+1 
9 y,x,-z,-1 
10 -y,-x,-z,-1 
11 x,-y,-z,-1 
12 -x,y,-z,-1 
13 -y,-x,z,-1 
14 y,x,z,-1 
15 -x,y,z,-1 
16 x,-y,z,-1 

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1 
2 x,y+1/2,z+1/2,+1 
3 x+1/2,y,z+1/2,+1 
4 x+1/2,y+1/2,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
Co1 Co 0.25000 0.25000 0.25000 0.9675
Mn1 Mn 0.25000 0.25000 0.25000 0.0325
Mn2 Mn 0.00000 0.00000 0.00000 0.924
Co3 Co 0.00000 0.00000 0.00000 0.076
Si1 Si 0.50000 0.50000 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
_atom_site_moment.magnitude
Co1 0.00000 0.00000 0.96(3) 0,0,mz   0.96(3)
Mn2 0.00000 0.00000 2.43(4) 0,0,mz   2.43(4)

