#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 02/19/2023

data_5yOhtAoR
_audit_creation_date            2023-02-19
_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     42
_experiment_temperature     1.5

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 .

_exptl_crystal_magnetic_properties_details
;
NPD
Under magnetic field applied to powder samples other phases are reported in the same article
;

_active_magnetic_irreps_details
;
3k magnetic structure
6-dim full (3k) irrep along a special direction 
There are two possible different non-equivalent subgroups of the parent symmetry group having P_Ia-3 as its MSG type. The article does not specify which one is the relevant one.
As the structure is described in the standard setting of the MSG, it is not clear which of two possible distinct subgroups is relevant for the relation with the parent phase. Here the one, which seems more plausible, has been assumed.
;

_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 1/2]

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

_space_group_magn.number_BNS  205.36
_space_group_magn.name_BNS  "P_I a -3"
_space_group_magn.point_group_name  "m-31'"
_space_group_magn.point_group_number  "29.2.110"
_cell_length_a                 10.15638(10)
_cell_length_b                 10.15638(10)
_cell_length_c                 10.15638(10)
_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+1/2,-z+1/2,+1 
4 -x+1/2,-y,z+1/2,+1 
5 z,x,y,+1 
6 y,z,x,+1 
7 -y,z+1/2,-x+1/2,+1 
8 -z+1/2,-x,y+1/2,+1 
9 -y+1/2,-z,x+1/2,+1 
10 z+1/2,-x+1/2,-y,+1 
11 y+1/2,-z+1/2,-x,+1 
12 -z,x+1/2,-y+1/2,+1 
13 -x,-y,-z,+1 
14 -x+1/2,y+1/2,z,+1 
15 x,-y+1/2,z+1/2,+1 
16 x+1/2,y,-z+1/2,+1 
17 -z,-x,-y,+1 
18 -y,-z,-x,+1 
19 y,-z+1/2,x+1/2,+1 
20 z+1/2,x,-y+1/2,+1 
21 y+1/2,z,-x+1/2,+1 
22 -z+1/2,x+1/2,y,+1 
23 -y+1/2,z+1/2,x,+1 
24 z,-x+1/2,y+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+1/2,z+1/2,-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 Eu 0.00000 0.50000 0.25000 1
Pb1 Pb 0.75000 0.75000 0.25000 1
O1 O 0.00000 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 0.0 -4.769(11) 4.769(11) 0,my,mz 6.74 ? ?

