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

data_5yOhtAoR
_audit_creation_date            2018-10-01
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Phys. Rev. B"
_citation_journal_volume        97
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            174417
_citation_year                  2018
_citation_DOI                   10.1103/PhysRevB.97.174417

loop_
_citation_author_name
"F. Li"
"V. Pomjakushin"
"T. Mazet"
"R. Sibille"
"B. Malaman"
"R. Yadav"
"L. Keller"
"M. Medarde"
"K. Conder"
"E. Pomjakushina"




_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature  200
_experiment_temperature  2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mLD3  4  2  special  primary  2  .
mGM1+ 1  1    .      secondary 1 yes

_exptl_crystal_magnetic_properties_details
;
NPD
A collinear model with MSG C2/c fits equally well the experimental data (see #1.0.16). Mossbauer experiments favor this second collinear model, but they are not conclusive.
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (4 possible)
4-dim irrep active. 14 non-equivalent MSGs are possible for this irrep.
A secondary spin mode associated with the irrep mGM1+ and producing the spin canting out of the xy plane (mz component) is quite large.
In the original reference (Table II), the magnetic structure is described using a basis different than the one of the paramagnetic structure, for which the MSG is in standard setting. Here however, we use the same basis as the one of the parent structure. The transformation to a standard setting of the MSG only requires the indicated origin shift (a change of a,b,c unit cell basis vectors is not necessary).
;

_parent_space_group.name_H-M_alt  'R -3c'
_parent_space_group.IT_number                       167
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

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

_parent_space_group.child_transform_Pp_abc  'a,b,c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  'a,b,c;1/3,0,1/12'



_space_group_magn.number_BNS  154.41
_space_group_magn.name_BNS  "P 3_2 2 1"
_cell_length_a             5.48220
_cell_length_b             5.48220
_cell_length_c             13.40520
_cell_angle_alpha          90.00
_cell_angle_beta           90.00
_cell_angle_gamma          120.00

loop_
_space_group_symop_magn_operation.id
_space_group_symop_magn_operation.xyz
1 x,y,z,+1
2 -y+1/3,x-y+2/3,z+2/3,+1
3 -x+y+2/3,-x+1/3,z+1/3,+1
4 x-y,-y,-z+1/2,+1
5 y+1/3,x+2/3,-z+1/6,+1
6 -x+2/3,-x+y+1/3,-z+5/6,+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_1 La 0.00000 0.00000 0.25000 0.333
La1_2 La  0.00000 0.00000 0.75000 0.333
Sr1_1 Sr 0.00000 0.00000 0.25000 0.667
Sr1_2 Sr  0.00000 0.00000 0.75000 0.667
Fe1 Fe 0.00000 0.00000 0.00000 1.
O1_1 O 0.51812 0.00000 0.25000 1.
O1_2 O  0.00000 0.51812 0.25000 1.
O1_3 O  0.48188 0.00000 0.75000 1.
O1_4 O  0.00000 0.48188 0.75000 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
Fe1 1.46(7) 3.67(2) 1.32(2) mx,my,mz
