#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 02/21/2023

data_5yOhtAoR
_audit_creation_date            2023-02-21
_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                    "Eu3 Pb1 O1"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "PHYSICAL REVIEW MATERIALS"
_citation_journal_volume        6
_citation_page_first            .
_citation_page_last             .
_citation_article_id            114202
_citation_year                  2022
_citation_DOI                   10.1103/PhysRevMaterials.6.114202

loop_
_citation_author_name
"M. M. Hirschmann"
"A. S. Gibbs"
"F. Orlandi"
"D. Khalyavin"
"P. Manuel"
"V. Abdolazimi"
"A. Yaresko"
"J. Nuss"
"H. Takagi"
"A. P. Schnyder"
"A. W. Rost"

_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     ?
_experiment_temperature     1.5(5T)

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mX5- 6 2 special-3 primary 2 .
mGM4+ 3 3 special primary 2 .
mM2+ 3 1  . secondary  1 YES

_exptl_crystal_magnetic_properties_details
;
NPD
Refined model for data at 1.5K and a magnetic field of 5T applied on the powder sample. See #3.22 for the structure reported at zero field.
The structure is described in the standard setting of the MSG, shifting the origin with respect to the parent basis.
;

_active_magnetic_irreps_details
;
3k magnetic structure, with a fourth propagation vector that can be considered an harmonic component.
6-dim 3k full irrep along a special direction restricted to two of the three k-vectors in the star as primary irrep
3-dim k=0 irrep as primary irrep corresponding to the FM component
The MSG allows a third irrep mM2+ with a single k=(1/2,1/2,0), which is present in the arrangement with a weight comparable to the other two irreps
The structure here is the one described in Table IV of the article. It does not coincide with that depicted in Figure2(b) of the same reference, which in fact corresponds to an equivalent domain-related spin arrangement, with opposite value for the mX5- component.
;

_parent_space_group.name_H-M_alt  'P m -3 m'
_parent_space_group.IT_number                       221
_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]
k2 [0 1/2 0]
k3 [0 0 0]
k4 [1/2 1/2 0]

_parent_space_group.child_transform_Pp_abc  '2a,2b,c;1/2,1/2,0'
_space_group_magn.transform_BNS_Pp_abc  'a,b,c;0,0,0'


_space_group_magn.number_BNS  123.345
_space_group_magn.name_BNS  "P 4/m m' m'"
_space_group_magn.point_group_name  "4/mm'm'"
_space_group_magn.point_group_number  "15.6.58"
_cell_length_a                 10.15640
_cell_length_b                 10.15640
_cell_length_c                 5.07820
_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 -y,x,z,+1 
3 y,-x,z,+1 
4 -x,-y,z,+1 
5 -x,-y,-z,+1 
6 y,-x,-z,+1 
7 -y,x,-z,+1 
8 x,y,-z,+1 
9 x,-y,-z,-1 
10 -x,y,-z,-1 
11 y,x,-z,-1 
12 -y,-x,-z,-1 
13 -x,y,z,-1 
14 x,-y,z,-1 
15 -y,-x,z,-1 
16 y,x,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
Eu1_1 Eu 0.00000 0.50000 0.00000 1
Eu1_2 Eu 0.25000 0.00000 0.50000 1
Eu1_3 Eu 0.75000 0.50000 0.50000 1
Eu1_4 Eu 0.50000 0.50000 0.00000 1
Eu1_5 Eu 0.00000 0.00000 0.00000 1
Pb1 Pb 0.75000 0.75000 0.00000 1
O1_1 O 0.00000 0.00000 0.50000 1
O1_2 O 0.00000 0.50000 0.50000 1
O1_3 O 0.50000 0.50000 0.50000 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
Eu1_1 0.0 0.0 6.45(6) 0,0,mz 6.45(6) ? ?
Eu1_2 0.0 0.0 -6.45(6) 0,0,mz 6.45(6) ? ?
Eu1_3 0.0 0.0 6.45(6) 0,0,mz 6.45(6) ? ?
Eu1_4 0.0 0.0 6.45(6) 0,0,mz 6.45(6) ? ?
Eu1_5 0.0 0.0 -6.45(6) 0,0,mz 6.45(6) ? ?

