#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 15/03/2021 

data_5yOhtAoR
_audit_creation_date            2021-03-15
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Solid State Communications"
_citation_journal_volume        58
_citation_page_first            171
_citation_page_last             176
_citation_article_id            .
_citation_year                  1986
_citation_DOI                   10.1016/0038-1098(86)90836-7

loop_
_citation_author_name
"M. Leblanc"
"R. De Pape"
"G. Ferey"
"J. Pannetier"

_temperature_position_structure         293
_temperature_atom_positions             .              
_temperature_non-magn_atom_positions    .

_atomic_positions_source_database_code_ICSD  41120
_atomic_positions_source_other               .



_transition_temperature  394
_experiment_temperature  ?

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM3+  2  2  special  primary  2  .
mGM2+  1  1   .   secondary 1 no

_exptl_crystal_magnetic_properties_details
;
NPD
Position structure from another work at 293K
FM on the plane perpendicular to the moment direction
Possible canting with weak FM
The direction of the spins on the basal plane is undetermined. Here a direction of maximal symmetry is assumed.
;

_active_magnetic_irreps_details
;
1k magnetic structure
2-dim irrep along a special direction as primary
1-dim irrep a secondary, corresponding to the symmetry allowed FM component along c
;

_parent_space_group.name_H-M_alt  'R -3 c'
_parent_space_group.IT_number                       167
_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  '1/3a+2/3b+2/3c,-a,-1/3a-2/3b+1/3c;0,1/2,0'



_space_group_magn.number_BNS  15.89
_space_group_magn.name_BNS  "C 2'/c'"
_cell_length_a             5.19420
_cell_length_b             5.19420
_cell_length_c             13.33490
_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,-z,+1 
3 x-y+1/3,-y+2/3,-z+1/6,-1 
4 -x+y+1/3,y+2/3,z+1/6,-1 

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

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Fe1 Fe 0.00000 0.00000 0.00000
F1_1 F 0.58930 0.00000 0.25000
F1_2 F  0.00000 0.58930 0.25000

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
Fe1 4.45(4) 0.00000 0.00000 mx,my,mz  4.45(4)

