#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 07/03/2022

data_5yOhtAoR
_audit_creation_date            2022-07-03
_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                    "Dy1 Fe1 O3"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "J. Phys.: Condens. Matter"
_citation_journal_volume        34
_citation_page_first            .
_citation_page_last             .
_citation_article_id            265801
_citation_year                  2022
_citation_DOI                   10.1088/1361-648X/ac6787

loop_
_citation_author_name
"C. Ritter"
"R. Vilarinho"
"J. A. Moreira"
"M. Mihalik"
"M. Mihalik"
"S. Savvin"

_temperature_position_structure         .
_temperature_atom_positions             .
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature     650
_experiment_temperature     300

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

_exptl_crystal_magnetic_properties_details
;
NPD
Non-standard parent setting Pbnm
FM along z (in the Pbnm setting)
MSG Pb'n'm in the non-standard setting used
Below 73K a spin reorientation transition takes place and the MSG becomes Pnma (Pbnm in the setting used)
Below 4K, the Dy moments also order in an incommensurate arrangement with k along z.
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
1-dim irrep
;

_parent_space_group.name_H-M_alt  'P b n m'
_parent_space_group.IT_number                       62
_parent_space_group.transform_Pp_abc  'b,c,a;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  'b,c,a;0,0,0'


_space_group_magn.number_BNS  62.448
_space_group_magn.name_BNS  "P n' m a'"
_space_group_magn.point_group_name  "m'm'm"
_space_group_magn.point_group_number  "8.4.27"
_cell_length_a                 5.30482(7)
_cell_length_b                 5.59784(7)
_cell_length_c                 7.62299(8)
_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+1/2,+1 
3 -x,-y,-z,+1 
4 x,y,-z+1/2,+1 
5 -x+1/2,y+1/2,-z+1/2,-1 
6 x+1/2,-y+1/2,-z,-1 
7 x+1/2,-y+1/2,z+1/2,-1 
8 -x+1/2,y+1/2,z,-1 

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,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
Dy1 Dy 0.9827(3) 0.0663(2) 0.25000 1
Fe1 Fe 0.00000 0.50000 0.00000 1
O1 O 0.1075(7) 0.4606(7) 0.25000 1
O2 O 0.6944(5) 0.3036(5) 0.0573(3) 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
_atom_site_moment.spherical_azimuthal
_atom_site_moment.spherical_polar
Dy1 0.0 0.0 0.0 0,0,mz 0.0 ? ?
Fe1 3.6(1) 0.0 0.0 mx,my,mz 3.6(1) ? ?

