#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 01/27/2022
# From the magCIF file available as supplementary material of the paper 

data_5yOhtAoR
_audit_creation_date            2022-01-27
_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                    "Dy2 Ba Cu O5"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        104
_citation_page_first            .
_citation_page_last             .
_citation_article_id            144401
_citation_year                  2021
_citation_DOI                   10.1103/PhysRevB.104.144401

loop_
_citation_author_name
"P. Yanda"
"F. Orlandi"
"P. Manuel"
"N. Boudjada"
"J. Rodriguez-Carvajal"
"A. Sundaresan"

_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     10.7
_experiment_temperature     1.5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM4- 1 1 . primary 6 .

_exptl_crystal_magnetic_properties_details
;
NPD
Between 18.5K and 10.7K another magnetic phase exists (see #1.650).
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
1-dim irrep
Symmetry-allowed linear magnetoelectric effect
;

_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  "P n m' a"
_space_group_magn.name_BNS  62.444
_space_group_magn.point_group_name  "m'm m"
_space_group_magn.point_group_number  8.3.26
_cell_length_a                 12.19972(7)
_cell_length_b                 5.67326(3)
_cell_length_c                 7.13905(4)
_cell_angle_alpha              90
_cell_angle_beta               90
_cell_angle_gamma              90

loop_
_space_group_symop_magn_operation.id
_space_group_symop_magn_operation.xyz
1 x,y,z,+1 
2 -x+1/2,-y,z+1/2,-1 
3 -x,y+1/2,-z,+1 
4 x+1/2,-y+1/2,-z+1/2,-1 
5 -x,-y,-z,-1 
6 x+1/2,y,-z+1/2,+1 
7 x,-y+1/2,z,-1 
8 -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
Dy1 Dy 0.28878(6) 0.25 0.88256(16) 1
Dy2 Dy 0.07468(7) 0.25 0.60282(12) 1
Ba1 Ba -0.0915(3) 0.25 0.0727(4) 1
Cu1 Cu 0.65987(18) 0.25 0.2888(3) 1
O1 O 0.5658(2) 0.0098(3) 0.1674(2) 1
O2 O 0.77144(14) 0.4946(4) 0.3536(3) 1
O3 O 0.10141(19) 0.25 -0.0842(4) 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 8.622(15) 0.0 -1.922(13) mx,0,mz 8.83 ? ?
Dy2 0.559(15) 0.0 9.669(16) mx,0,mz 9.69 ? ?
Cu1 0.528(17) 0.0 -0.363(14) mx,0,mz 0.64 ? ?

