#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 03/17/2025

data_5yOhtAoR
_audit_creation_date            2025-03-17
_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                    "Y0.2 La0.2 Pr0.2 Nd0.2 Tb0.2 Mn1 O3"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "J. Mater. Chem. C"
_citation_journal_volume        12
_citation_page_first            13474
_citation_page_last             13484
_citation_article_id            .
_citation_year                  2024
_citation_DOI                   10.1039/d4tc01411a

loop_
_citation_author_name
"Nathan D. Arndt"
"Brianna L. Musico"
"Kausturi Parui"
"Keon Sahebkar"
"Qiang Zhang"
"Alessandro R. Mazza"
"Megan M. Butala"
"Veerle Keppens"
"T. Zac Ward"
"Ryan F. Need"

_temperature_position_structure         295
_temperature_atom_positions             .
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            9

_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature     20
_experiment_temperature     9

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
Position structure from a determination at room temperature, except the unit cell parameters, from a determination at 9K
The moment value of the A-site in the table of the supplemental material does not agree with the value indicated in the text of the main article. The value in the table has been assumed to be the correct one.
;

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

_parent_space_group.name_H-M_alt  'P n m a'
_parent_space_group.IT_number                       62
_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  'a,b,c;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                 5.74018
_cell_length_b                 7.53438
_cell_length_c                 5.39047
_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+1/2,-z,+1 
3 -x,-y,-z,+1 
4 x,-y+1/2,z,+1 
5 x+1/2,-y+1/2,-z+1/2,-1 
6 -x+1/2,-y,z+1/2,-1 
7 -x+1/2,y+1/2,z+1/2,-1 
8 x+1/2,y,-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
Y1 Y 0.06735 0.25000 0.98960 0.2
La1 La 0.06735 0.25000 0.98960 0.2
Pr1 Pr 0.06735 0.25000 0.98960 0.2
Nd1 Nd 0.06735 0.25000 0.98960 0.2
Tb1 Tb 0.06735 0.25000 0.98960 0.2
Mn1 Mn 0.00000 0.00000 0.50000 1.
O1 O 0.47620 0.25000 0.08670 1.
O2 O 0.18351 0.54537 0.21109 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
Mn1 2.00 0.55 0.12 mx,my,mz 2.07 ? ?
Nd1 0.0 1.31 0.0 0,my,0 1.31 ? ?

