#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 05/13/2025
# From a file submitted by J.L. Garcia-Munoz

data_5yOhtAoR
_audit_creation_date            2025-05-13
_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                    "La1 Tb1 Mn1 Co1 O6"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "Acta Cryst. B"
_citation_journal_volume        80
_citation_page_first            665
_citation_page_last             675
_citation_article_id            .
_citation_year                  2024
_citation_DOI                   10.1107/S2052520624009454

loop_
_citation_author_name
"J.L. Garcia-Mumoz"
"X. Zhang"
"G. Subias"
"J. Blasco"

_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     30
_experiment_temperature     2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM2+ 1 1 . primary 9 .

_exptl_crystal_magnetic_properties_details
;
NPD
Non-standard parent setting: P2_1/n
The refined Co/Mn occupancies in the sample give a degree of order of 58% at the B-sublattices.
Structural and magnetic refinements reported earlier in J. Phys.: Condens. Matter 26 (2014) 386001
Structural and magnetic refinements performed at 2K
The moments of the Mn and Co sites have been constrained to be equal in the refinement
FM ordering of Co2+/Mn4+ moments below TC=150 K. Tb moments order at TN=30K (FxCy)
FM coupling along the x-direction of 3d and 4f sublattices
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
1-dim active irrep: equivalent to the MSG assignment
Non-polar symmetry. Type II multiferroicity is not possible, in contradiction with some previous publications.
;

_parent_space_group.name_H-M_alt  'P 2_1/c'
_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 [0 0 0]

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


_space_group_magn.number_BNS  14.79
_space_group_magn.name_BNS  "P 2_1'/c'"
_space_group_magn.point_group_name  "2'/m'"
_space_group_magn.point_group_number  "5.5.16"
_cell_length_a                 5.43301
_cell_length_b                 5.55457
_cell_length_c                 7.69265
_cell_angle_alpha              90.00
_cell_angle_beta               89.97
_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 
3 -x+1/2,y+1/2,-z+1/2,-1 
4 x+1/2,-y+1/2,z+1/2,-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
Co Co 0.50000 0.00000 0.00000 1
Mn Mn 0.00000 0.50000 0.00000 1
La La 0.01200 0.05190 0.25220 0.5
Tb Tb 0.01200 0.05190 0.25220 0.5
O1 O 0.29190 0.28840 0.04840 1
O2 O 0.29080 0.29380 0.46260 1
O3 O 0.58720 0.97990 0.24010 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
Co 1.7(1) 0.0 0.6(1) mx,my,mz 1.83(7) ? ?
Mn 1.7(1) 0.0 0.6(1) mx,my,mz 1.83(7) ? ?
Tb 1.5(1) 2.04(8) 0.0 mx,my,mz 2.53(8) ? ?

