#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 09/21/2022

data_5yOhtAoR
_audit_creation_date            2022-09-21
_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 Sr1 Cr1 O4"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        105
_citation_page_first            .
_citation_page_last             .
_citation_article_id            L180411
_citation_year                  2022
_citation_DOI                   10.1103/PhysRevB.105.L180411

loop_
_citation_author_name
"J. Zhou"
"G. Quirion"
"J. A. Quilliam"
"H. Cao"
"F. Ye"
"M. B. Stone"
"Q. Huang"
"H. Zhou"
"J. Cheng"
"X. Bai"
"M. Mourigal"
"Y. Wan"
"Z. Dun"

_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     170
_experiment_temperature     4

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mX3+ 2 1 special-2 primary 1 .

_exptl_crystal_magnetic_properties_details
;
NSD
;

_active_magnetic_irreps_details
;
2k magnetic structure
k-maximal symmetry
2-dim irrep along a special direction
;

_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 [1/2 1/2 0]
k2 [1/2 -1/2 0]

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

_space_group_magn.number_BNS  138.529
_space_group_magn.name_BNS  "P_C 4_2/n c m"
_space_group_magn.point_group_name  "4/mmm1'"
_space_group_magn.point_group_number  "15.2.54"
_cell_length_a                 7.706
_cell_length_b                 7.706
_cell_length_c                 12.475
_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 -y+3/4,x+1/4,z+1/2,+1 
3 y+3/4,-x+3/4,z+1/2,+1 
4 y+1/4,x+1/4,-z+1/2,+1 
5 -y+1/4,-x+3/4,-z+1/2,+1 
6 -x+1/2,-y,z,+1 
7 -x+1/2,y+1/2,-z,+1 
8 x,-y+1/2,-z,+1 
9 -x+1/2,-y+1/2,-z,+1 
10 y+1/4,-x+3/4,-z+1/2,+1 
11 -y+1/4,x+1/4,-z+1/2,+1 
12 -y+3/4,-x+3/4,z+1/2,+1 
13 y+3/4,x+1/4,z+1/2,+1 
14 x,y+1/2,-z,+1 
15 x,-y,z,+1 
16 -x+1/2,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 
3 x,y+1/2,z,-1 
4 x+1/2,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
Cr1 Cr 0.00000 0.00000 0.00000 1.
La1 La 0.00000 0.00000 0.35957 0.5
Sr1 Sr 0.00000 0.00000 0.35957 0.5
O1_1 O 0.00000 0.25000 0.00000 1.
O1_2 O 0.25000 0.00000 0.00000 1.
O2 O 0.00000 0.00000 0.16553 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
Cr1 0.0 2.25(2) 0.0 0,my,0 2.25(2) ? ?

