#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 17:16:08
# Database entry: 1.151 Mn0.375Co0.375Fe0.25
# Cif-like file for the case 1.151


data_5yOhtAoR
_audit_creation_date            2017-11-19
_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                    'Mn0 .375Co0 .375Fe0 .25'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "J. Phys. Soc. Jpn."
_citation_journal_volume        35
_citation_page_first            426
_citation_page_last             433
_citation_article_id            .
_citation_year                  1973
_citation_DOI                   10.1143/JPSJ.35.426

loop_
_citation_author_name
"K. Adachi"
"K. Sato"
"M. Matsui"
"S. Mitani"




_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature     310
_experiment_temperature     77.3

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mX3+ 1 3 . primary 1 .
mX5+ 2 6 . primary 1 .

_exptl_crystal_magnetic_properties_details
;
NPD and NSD
A mixed Co/Mn/Fe site
;

_active_magnetic_irreps_details
;
1k magnetic structure
2 irreps active
The small canting along the (1,1,0) direction breaks a higher symmetry and corresponds to a different irrep than the main component along c.
;

_parent_space_group.name_H-M_alt  'F  m  -3m'
_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
k [0 0 1]

_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,-1/2a-1/2b-c;0,0,0'


_space_group_magn.number_BNS  14.83
_space_group_magn.name_BNS  "P_A  2_1/c"
_space_group_magn.point_group_name  "2/m1'"
_space_group_magn.point_group_number  "5.2.13"
_cell_length_a                 3.590(3)
_cell_length_b                 3.590
_cell_length_c                 3.590
_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+1/2,-x,-z+1/2,+1
3 -x,-y,-z,+1
4 y+1/2,x,z+1/2,+1

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1
2 x+1/2,y+1/2,z,+1
3 x+1/2,y,z+1/2,-1
4 x,y+1/2,z+1/2,-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 0.00000 0.00000 0.00000 0.375
Mn1 Mn 0.00000 0.00000 0.00000 0.375
Fe1 Fe 0.00000 0.00000 0.00000 0.25

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
Co1 0.08 0.08 0.66 mx,mx,mz

