#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 10/16/2021

data_5yOhtAoR
_audit_creation_date            2021-10-16
_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                    "La Ba Mn2 O5"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "Chem. Mater."
_citation_journal_volume        10
_citation_page_first            1974
_citation_page_last             1983
_citation_article_id            .
_citation_year                  1998
_citation_DOI                   10.1021/cm980130v

loop_
_citation_author_name
"F. Millange"
"V. Caignaert"
"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     100
_experiment_temperature     1.5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM3+ 1 1 . primary 2 .

_exptl_crystal_magnetic_properties_details
;
NPD
Ferrimagnetic along c
;

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

_parent_space_group.name_H-M_alt  "P 4/n m m"
_parent_space_group.IT_number                       129
_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  129.417
_space_group_magn.name_BNS  "P 4/n m' m'"
_space_group_magn.point_group_name  "4/mm'm'"
_space_group_magn.point_group_number  "15.6.58"
_cell_length_a                 5.63860
_cell_length_b                 5.63860
_cell_length_c                 7.77990
_cell_angle_alpha              90.00000
_cell_angle_beta               90.00000
_cell_angle_gamma              90.00000

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 -y+1/2,x,z,+1 
4 y,-x+1/2,z,+1 
5 -x,-y,-z,+1 
6 x+1/2,y+1/2,-z,+1 
7 y+1/2,-x,-z,+1 
8 -y,x+1/2,-z,+1 
9 x+1/2,-y,-z,-1 
10 -x,y+1/2,-z,-1 
11 -y,-x,-z,-1 
12 y+1/2,x+1/2,-z,-1 
13 -x+1/2,y,z,-1 
14 x,-y+1/2,z,-1 
15 y,x,z,-1 
16 -y+1/2,-x+1/2,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
La1 La 0.75000 0.25000 0.50000 1
Ba1 Ba 0.75000 0.25000 0.00000 1
Mn1 Mn 0.25000 0.25000 0.26370 1
Mn2 Mn 0.25000 0.25000 0.75110 1
O1 O 0.49080 0.49080 0.29990 1
O2 O 0.25000 0.25000 0.00610 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 0.0 -2.7(1) 0,0,mz 2.7(1) ? ?
Mn2 0.0 0.0 3.2(1) 0,0,mz 3.2(1) ? ?

