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


data_5yOhtAoR
_audit_creation_date            2018-10-08
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Solid State Communications"
_citation_journal_volume        14
_citation_page_first            187
_citation_page_last             189
_citation_article_id            ?
_citation_year                  1974
_citation_DOI                   10.1016/0038-1098(74)90213-0

loop_
_citation_author_name
"J. Gelard"
"A. Fert"
"P. Meriel"
"Y. Allain"




_atomic_positions_source_database_code_ICSD  52369
_atomic_positions_source_other               .

_transition_temperature  9.3
_experiment_temperature  4.2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mC1  12 1  special  primary  3  .

_exptl_crystal_magnetic_properties_details
;
NPD
The structure is described in a supercell chosen in the original reference
see also (McGuire et al, Crystals 2017, 7, 121)
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal symmetry (2 possible)
The (k,-k) irrep subspace is 2-dim and the OP is along a special direction (special phase of the k-wave)
;

_parent_space_group.name_H-M_alt  'P -3 m 1'
_parent_space_group.IT_number                       164
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1  [1/4 1/4 1/4]

_parent_space_group.child_transform_Pp_abc  '-2a-2b,a-b,4c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  '-1/4a+1/2b-1/4c,-b,-1/2a-b+1/2c;0,0,7/8'



_space_group_magn.number_BNS  2.7
_space_group_magn.name_BNS  "P_S -1"
_cell_length_a             8.10000
_cell_length_b             7.01480
_cell_length_c             27.04000
_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 -x,-y,-z+3/4,+1

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1
2 x+3/4,y+1/2,z+3/4,+1
3 x+1/2,y,z+1/2,+1
4 x+1/4,y+1/2,z+1/4,+1
5 x+3/4,y+1/2,z+1/4,-1
6 x+1/2,y,z,-1
7 x+1/4,y+1/2,z+3/4,-1
8 x,y,z+1/2,-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
I1_1 I 0.75000 0.83332 0.06250
I1_2 I 0.75000 0.16668 0.93750

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
Fe1 0.00000 0.00000 3.7 mx,my,mz
