#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 04/07/2025
# From a file submitted by a V. Caignaert

data_5yOhtAoR
_audit_creation_date            2025-04-07
_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                    "La2 Ba2 Mn4 O11"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "Chem. Mater."
_citation_journal_volume        11
_citation_page_first            930
_citation_page_last             938
_citation_article_id            .
_citation_year                  1999
_citation_DOI                   10.1021/cm980469h

loop_
_citation_author_name
"V. Caignaert"
"F. Millange"
"B. Domenges"
"B. Raveau"
"E. Suard"

_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     185
_experiment_temperature     1.7

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mT2- 1 1 . primary 2 .

_exptl_crystal_magnetic_properties_details
;
NPD
The structure is decribed with respect to a parent structure in standard setting Cmmm, instead of the non-standard setting Ammm, which was considered in the original reference.
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
1-dim irrep
;

_parent_space_group.name_H-M_alt  'C m m m'
_parent_space_group.IT_number                       65
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [1 0 1/2]

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


_space_group_magn.number_BNS  71.538
_space_group_magn.name_BNS  "I_c m m m"
_space_group_magn.point_group_name  "mmm1'"
_space_group_magn.point_group_number  "8.2.25"
_cell_length_a                 15.4307(3)
_cell_length_b                 8.18764(10)
_cell_length_c                 7.69144(10)
_cell_angle_alpha              90.0000
_cell_angle_beta               90.0000
_cell_angle_gamma              90.0000

loop_
_space_group_symop_magn_operation.id
_space_group_symop_magn_operation.xyz
1 x,y,z,+1 
2 -x,-y,-z,-1 
3 -x,y,z,+1 
4 x,-y,z,+1 
5 x,y,-z,-1 
6 x,-y,-z,-1 
7 -x,-y,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+1/2,y+1/2,z+1/2,+1 
3 x,y,z+1/2,-1 
4 x+1/2,y+1/2,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
La La 0.00000 0.26662 0.25000 1
Ba Ba 0.25000 0.25000 0.25000 1
Mn1 Mn 0.11845 0.00000 0.00000 1
Mn2 Mn 0.37336 0.00000 0.00000 1
O1 O 0.10748 0.23044 0.00000 1
O2 O 0.25171 0.00000 0.00000 1
O3 O 0.09588 0.00000 0.25000 1
O4 O 0.38268 0.00000 0.25000 1
O5 O 0.50000 0.00000 0.00000 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
Mn1 0.0 3.43(15) 0.0 0,my,0 3.43(15) 90 90
Mn2 0.0 3.05(15) 0.0 0,my,0 3.05(15) 90 90


