#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 03/29/2026

data_5yOhtAoR
_audit_creation_date            2026-03-29
_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 B4"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        94
_citation_page_first            .
_citation_page_last             .
_citation_article_id            195128
_citation_year                  2016
_citation_DOI                   10.1103/PhysRevB.94.195128

loop_
_citation_author_name
"Hasung Sim"
"Seongsu Lee"
"Kun-Pyo Hong"
"Jaehong Jeong"
"R. Zhang"
"T. Kamiyama"
"D. T. Adroja"
"C. A. Murray"
"S. P. Thompson"
"F. Iga"
"S. Ji"
"D. Khomskii"
"Je-Geun Park"

_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     12.5
_experiment_temperature     5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM1- 1 1 . primary 1 .
mGM5- 2 2 special primary 1 .
mGM2- 1 1 special secondary 1 no

_exptl_crystal_magnetic_properties_details
;
NPD
The positional structure has a small monoclinic distortion with respect to the parent SG P4/mbm, consistent with the MSG, which is probably induced by the magnetic ordering.
Another AFM phase between 20K and 12.5 with spins along c is mentioned, but not fully specified. Probably it corresponds to the mGM5- component of the ordering present here, which alone result in the MSG Pb'am (b,-a,c;000) (see entry 0.22). 
;

_active_magnetic_irreps_details
;
1k magnetic structure
two primary irreps involved
A secondary irrep is allowed by the MSG, but it is not present
;

_parent_space_group.name_H-M_alt  'P 4/m b m'
_parent_space_group.IT_number                       127
_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  'c,b,-a;0,0,0'


_space_group_magn.number_BNS  14.78
_space_group_magn.name_BNS  "P 2_1/c'  "
_space_group_magn.point_group_name  "2/m'"
_space_group_magn.point_group_number  "5.4.15"
_cell_length_a                 7.10820
_cell_length_b                 7.10820
_cell_length_c                 4.01960
_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+1/2,y+1/2,-z,+1 
3 -x,-y,-z,-1 
4 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 0.3175(2) 0.8179(2) -0.0004(3) 1
B1  B −0.0007(3) −0.000(1) 0.2016(4) 1
B2  B 0.0887(5) 0.5868(4) 0.5004(7) 1
B3_1 B 0.9604(5) 0.1771(5) 0.4996(7) 1
B3_2 B 0.3233(5) 0.5379(4) 0.5007(7) 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 2.45 2.45 5.94 mx,my,mz 6.88(4) ? ?

