#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 10/08/2021 14:16:55

data_5yOhtAoR
_audit_creation_date            2021-10-08
_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                    "Ba Dy2 O4"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "Phys. Rev. B"
_citation_journal_volume        103
_citation_page_first            .
_citation_page_last             .
_citation_article_id            134434
_citation_year                  2021
_citation_DOI                   10.1103/PhysRevB.103.134434

loop_
_citation_author_name
"D.D. Khalyavin"
"P. Manuel"
"M. Ciomaga Hatnean"
"O. A. Petrenko"

_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     0.48
_experiment_temperature     0.05

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM2+ 1 1 . primary 4 .
mDT2 2 1 special primary 6 .
mDT4 2 1 special primary 6 .
mDT1 2 1 special secondary 6 yes
mDT3 2 1 special secondary 6 yes
mGM4+ 1 1 . secondary 2 no
mGM2- 1 1 . secondary 2 no
mGM4- 1 1 . secondary 4 no

_exptl_crystal_magnetic_properties_details
;
NPD in magnetic field (H=1.25 T)
Both magnetic structure and atomic positions were determined together using the same experimental data set
Magnetic structure observed on powder under magnetic field (12.5kOe)
;

_active_magnetic_irreps_details
;
2k magnetic structure
The mGM2+, mDT2 and mDT4 irreps were chosen to be the primary ones because of their largest amplitudes in the reported magnetic structure. The same symmetry can be achieved by combining mGM2+, mDT3 and mDT4.
;

_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]
k2 [0 1/3 0]

_parent_space_group.child_transform_Pp_abc  "3b,-a,c;0,1/4,1/4"
_space_group_magn.transform_BNS_Pp_abc       "a,b,c;0,0,0"

_space_group_magn.number_BNS  4.9
_space_group_magn.name_BNS  "P 2_1'"
_space_group_magn.point_group_name  "2'"
_space_group_magn.point_group_number  "3.3.8"
_cell_length_a                 10.40700
_cell_length_b                 10.40750
_cell_length_c                 12.11330
_cell_angle_alpha              90.00000
_cell_angle_beta               90.00000
_cell_angle_gamma              90.00000

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 

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
Ba1 Ba 0.00000 0.75274 0.39875 1
Ba2 Ba 0.16667 0.24726 0.10125 1
Ba3 Ba 0.83333 0.24726 0.10125 1
Ba4 Ba 0.33333 0.75274 0.39875 1
Ba5 Ba 0.33333 0.25274 0.60125 1
Ba6 Ba 0.50000 0.24726 0.10125 1
Dy1 Dy 0.00000 -0.07781 0.14053 1
Dy2 Dy 0.33333 -0.07781 0.14053 1
Dy3 Dy 0.66667 -0.07781 0.14053 1
Dy4 Dy 0.83333 0.57781 0.64053 1
Dy5 Dy 0.16667 0.57781 0.64053 1
Dy6 Dy 0.50000 0.57781 0.64053 1
Dy7 Dy 0.00000 0.42530 0.36120 1
Dy8 Dy 0.33333 0.42530 0.36120 1
Dy9 Dy 0.66667 0.42530 0.36120 1
Dy10 Dy 0.83333 0.07470 0.86120 1
Dy11 Dy 0.16667 0.07470 0.86120 1
Dy12 Dy 0.50000 0.07470 0.86120 1
O1 O 0.00000 0.70860 0.08790 1
O2 O 0.16667 0.29140 0.41210 1
O3 O 0.83333 0.29140 0.41210 1
O4 O 0.33333 0.70860 0.08790 1
O5 O 0.33333 0.20860 -0.08790 1
O6 O 0.50000 0.29140 0.41210 1
O7 O 0.00000 0.61810 0.76660 1
O8 O 0.16667 0.38190 0.73340 1
O9 O 0.83333 0.38190 0.73340 1
O10 O 0.33333 0.61810 0.76660 1
O11 O 0.33333 0.11810 0.23340 1
O12 O 0.50000 0.38190 0.73340 1
O13 O 0.00000 0.51700 0.53250 1
O14 O 0.16667 0.48300 -0.03250 1
O15 O 0.83333 0.48300 -0.03250 1
O16 O 0.33333 0.51700 0.53250 1
O17 O 0.33333 0.01700 0.46750 1
O18 O 0.50000 0.48300 -0.03250 1
O19 O 0.00000 -0.07120 0.82510 1
O20 O 0.16667 0.07120 0.67490 1
O21 O 0.83333 0.07120 0.67490 1
O22 O 0.33333 -0.07120 0.82510 1
O23 O 0.33333 0.42880 0.17490 1
O24 O 0.50000 0.07120 0.67490 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 0.0 0.0 5.8(1)  mx,my,mz 5.8(1) ? ?
Dy2 0.0 0.0 -9.2(1) mx,my,mz 9.2(1) ? ?
Dy3 0.0 0.0 -9.2(1) mx,my,mz 9.2(1) ? ?
Dy4 0.0 0.0 -9.2(1) mx,my,mz 9.2(1) ? ?
Dy5 0.0 0.0 5.8(1)  mx,my,mz 5.8(1) ? ?
Dy6 0.0 0.0 -9.2(1) mx,my,mz 9.2(1) ? ?
Dy7 0.0 0.0 0.0     mx,my,mz   0.0 ? ?
Dy8 0.0 0.0 0.0     mx,my,mz   0.0 ? ?
Dy9 0.0 0.0 0.0     mx,my,mz   0.0 ? ?
Dy10 0.0 0.0 0.0    mx,my,mz   0.0 ? ?
Dy11 0.0 0.0 0.0    mx,my,mz   0.0 ? ?
Dy12 0.0 0.0 0.0    mx,my,mz   0.0 ? ?

