#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 01/22/2024

data_5yOhtAoR
_audit_creation_date            2024-01-22
_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                    "La1 Cu3 Fe4 O12"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "?"
_citation_journal_volume        ?
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            .
_citation_year                  ?
_citation_DOI                   ?

loop_
_citation_author_name
"?"

_temperature_position_structure         300
_temperature_atom_positions             .
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_atomic_positions_source_database_code_ICSD  259142
_atomic_positions_source_other                .

_transition_temperature     393
_experiment_temperature     50

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mP4 6 3 special primary 3 .

_exptl_crystal_magnetic_properties_details
;
NPD
Position structure from a determination at 300K
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal symmetry
6-dim irrep along special direction
;

_parent_space_group.name_H-M_alt  'I m -3'
_parent_space_group.IT_number                       204
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [1/2 1/2 1/2]

_parent_space_group.child_transform_Pp_abc  '2a,2b,2c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  'a,b,c;1/4,1/4,0'


_space_group_magn.number_BNS  69.526
_space_group_magn.name_BNS  "F_S m m m"
_space_group_magn.point_group_name  "mmm1'"
_space_group_magn.point_group_number  "8.2.25"
_cell_length_a                 14.82830
_cell_length_b                 14.82830
_cell_length_c                 14.82830
_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,-y+1/2,-z,+1 
3 -x+1/2,y,-z,+1 
4 -x+1/2,-y+1/2,z,+1 
5 -x+1/2,-y+1/2,-z,+1 
6 -x+1/2,y,z,+1 
7 x,-y+1/2,z,+1 
8 x,y,-z,+1 

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1 
2 x,y+1/2,z+1/2,+1 
3 x+1/2,y,z+1/2,+1 
4 x+1/2,y+1/2,z,+1 
5 x,y,z+1/2,-1 
6 x,y+1/2,z,-1 
7 x+1/2,y,z,-1 
8 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
La1_1 La 0.00000 0.00000 0.00000 1
La1_2 La 0.25000 0.25000 0.25000 1
Cu1_1 Cu 0.00000 0.25000 0.25000 1
Cu1_2 Cu 0.25000 0.00000 0.25000 1
Cu1_3 Cu 0.25000 0.25000 0.00000 1
Cu1_4 Cu 0.25000 0.00000 0.00000 1
Cu1_5 Cu 0.00000 0.25000 0.00000 1
Cu1_6 Cu 0.00000 0.00000 0.25000 1
Fe1 Fe 0.12500 0.12500 0.12500 1
O1_1 O 0.00000 0.15555 0.08575 1
O1_2 O 0.08575 0.00000 0.15555 1
O1_3 O 0.15555 0.08575 0.00000 1
O1_4 O 0.25000 0.40555 0.33575 1
O1_5 O 0.33575 0.25000 0.40555 1
O1_6 O 0.40555 0.33575 0.25000 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
Fe1 0.0 0.0 4.03(2) mx,my,mz 4.03(2) ? ?

