#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 01/24/2026

data_5yOhtAoR
_audit_creation_date            2026-01-24
_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                    "Ba6 Nd2 Fe4 O15"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "PHYSICAL REVIEW MATERIALS"
_citation_journal_volume        9
_citation_page_first            .
_citation_page_last             .
_citation_article_id            114407
_citation_year                  2025
_citation_DOI                   10.1103/rqpb-qwkp

loop_
_citation_author_name
"Y. K. Lin"
"Ajay Tiwari"
"C. W. Wang"
"J.-Y. Lin"
"M.-J. Hsieh"
"T. W. Yen"
"Y. C. Chuang"
"Y. C. Lai"
"Arkadeb Pal"
"H. D. Yang"
"D. Chandrasekhar Kakarla"

_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     17
_experiment_temperature     3.3

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mM1 3 1 . primary 9 .

_exptl_crystal_magnetic_properties_details
;
NPD
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
1-dim small irrep with a 3-dim irrep involving 3 k-vectors
Possible models involving 2 or 3 k-vectors of the active irrep, which could equally fit the data do not seem to have been considered
;

_parent_space_group.name_H-M_alt  'P 6_3 m c'
_parent_space_group.IT_number                       186
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

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

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


_space_group_magn.number_BNS  26.76
_space_group_magn.name_BNS  "P_C m c 2_1"
_space_group_magn.point_group_name  "mm21'"
_space_group_magn.point_group_number  "7.2.21"
_cell_length_a                 23.62320
_cell_length_b                 11.81160
_cell_length_c                 7.02220
_cell_angle_alpha              90.00
_cell_angle_beta               90.00
_cell_angle_gamma              120.00

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,2x-y,z,+1 
4 -x,-2x+y,z+1/2,+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 

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 0.00000 0.00000 0.00000 1.
Ba2 Ba 0.16667 0.66667 0.48270 1.
Ba3_1 Ba 0.08685 0.82630 0.16090 1.
Ba3_2 Ba 0.82630 0.82630 0.16090 1.
Ba4_1 Ba 0.23950 0.52100 0.82910 0.333333
Ba4_2 Ba 0.52100 0.52100 0.82910 0.333333
Nd1_1 Nd 0.23950 0.52100 0.82910 0.666667
Nd1_2 Nd 0.52100 0.52100 0.82910 0.666667
Fe1 Fe 0.16667 0.66667 0.01550 1.
Fe2_1 Fe 0.08855 0.82290 0.66000 1.
Fe2_2 Fe 0.82290 0.82290 0.66000 1.
O1_1 O 0.33710 0.06590 0.02140 1.
O1_2 O 0.96705 0.60830 0.02140 1.
O1_3 O 0.69585 0.32580 0.02140 1.
O2_1 O 0.12515 0.74970 0.83570 1.
O2_2 O 0.74970 0.74970 0.83570 1.
O3_1 O 0.20750 0.58500 0.16650 1.
O3_2 O 0.58500 0.58500 0.16650 1.
O4_1 O 0.45080 0.09840 0.26880 1.
O4_2 O 0.09840 0.09840 0.26880 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
Nd1_1 0.0 -1.42(9) 0.0 mx,my,mz 1.42(9) ? ?
Nd1_2 0.0 1.42(9) 0.0 0,my,0 1.42(9) ? ?
Fe1 0.0 3.14(5) 0.0 0,my,0 3.14(5) ? ?
Fe2_1 0.0 -3.88(8) 0.0 mx,my,mz 3.88(8) ? ?
Fe2_2 0.0 3.88(8). 0.0 0,my,0 3.88(8) ? ?

