#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 01/23/2026
# From a file submitted by V. Caignaert

data_5yOhtAoR
_audit_creation_date            2026-01-23
_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                    'Ba2 Tb1 Fe1 O5'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "Phys. Rev. B"
_citation_journal_volume        112
_citation_page_first            144425
_citation_page_last             ?
_citation_article_id            .
_citation_year                  2025
_citation_DOI                   10.1103/xdgh-1vr4

loop_
_citation_author_name
"V. Hardy"
"V. Caignaert"
"F. Veillon"
"F. Guillou"
"Y. Bréard"
"B. Raveau"
"M. Avdeev"
"B. Gonano"

_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     14.0
_experiment_temperature     1.6

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mY1+ 1 1 . primary 6 .

_exptl_crystal_magnetic_properties_details
;
NPD
Parent space group in a non-standard setting P2_1/n
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal symmetry
In the standard P2_1/c setting, the propagation vector is (1/2 0 0)
;

_parent_space_group.name_H-M_alt  'P 2_1/n'
_parent_space_group.IT_number                       14
_parent_space_group.transform_Pp_abc  'a,b,-a+c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [1/2 0 1/2]

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


_space_group_magn.number_BNS  14.80
_space_group_magn.name_BNS  "P_a 2_1/c"
_space_group_magn.point_group_name  "2/m.1'"
_space_group_magn.point_group_number  "5.2.13"
_cell_length_a                 25.3043(6)
_cell_length_b                 6.08178(16)
_cell_length_c                 15.5904(4)
_cell_angle_alpha              90.0000
_cell_angle_beta               92.4029(9)
_cell_angle_gamma              90.0000

loop_
_space_group_symop_magn_operation.id
_space_group_symop_magn_operation.xyz
1 x,y,z,+1 
2 x+1/4,-y+1/2,z+1/4,-1 
3 -x,-y,-z,+1 
4 -x+3/4,y+1/2,-z+3/4,-1 

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1 
2 x+1/2,y,z+1/2,+1 
3 x+1/2,y,z,-1 
4 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
_atom_site_occupancy
Ba1 Ba 0.07930 0.26110 0.01170 1
Ba2 Ba 0.05825 0.25470 0.25355 1
Tb Tb 0.43565 0.25040 0.11295 1
Fe Fe 0.45776 0.23420 0.37990 1
O1 O 0.43850 0.26540 0.26245 1
O2 O 0.15755 0.23090 0.21185 1
O3 O 0.11345 0.06000 0.37920 1
O4 O 0.26215 0.04950 0.14415 1
O5 O 0.23795 0.54370 0.13600 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
Tb 8.31(3) 0.13(5) -0.03(4) mx.my,mz 8.31 ? ?
Fe 4.05(5) 1.96(5) 0.18(8) mx.my,mz 4.50 ? ?

