#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 27/01/2021

data_5yOhtAoR
_audit_creation_date            2021-01-27
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "J. Phys.: Condens. Matter"
_citation_journal_volume        25
_citation_page_first            .
_citation_page_last             .
_citation_article_id            086004
_citation_year                  2013
_citation_DOI                   10.1088/0953-8984/25/8/086004

loop_
_citation_author_name
"S. Landsgesell"
"E. Blumenrother"
"K. Prokes"



_atomic_positions_source_database_code_ICSD  290417
_atomic_positions_source_other               .

_transition_temperature  76
_experiment_temperature  2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM5+  2  2  special  primary  2  .

_exptl_crystal_magnetic_properties_details
;
NPD
Direction of the moments on the basal plane undetermined. A high-symmetry direction is assumed.
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
2-dim irrep along a special direction as primary
FM along x is symmetry allowed
;

_parent_space_group.name_H-M_alt  'I 4/m m m'
_parent_space_group.IT_number                       139
_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  'c,b,-a;0,0,0'



_space_group_magn.number_BNS  71.536
_space_group_magn.name_BNS  "I m' m' m"
_cell_length_a             4.08560
_cell_length_b             4.08560
_cell_length_c             18.68500
_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,-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

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 0.00000 0.00000 0.68310 1.
Fe1_1 Fe 0.00000 0.50000 0.00000 0.5
Fe1_2 Fe  0.50000 0.00000 0.00000 0.5
Mn1_1 Mn 0.00000 0.50000 0.00000 0.5
Mn1_2 Mn  0.50000 0.00000 0.00000 0.5
O1 O 0.00000 0.50000 0.25000 1.
O2 O 0.00000 0.00000 0.50000 1.
Se1 Se 0.00000 0.00000 0.09950 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
Fe1_1 3.44(5) 0.00000 0.00000 mx,0,0  3.44(5)
Fe1_2 -3.44 0.00000 0.00000 mx,0,0    3.44
Mn1_1 3.44 0.00000 0.00000 mx,0,0     3.44
Mn1_2 -3.44 0.00000 0.00000 mx,0,0    3.44

