#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 07/05/2020

data_5yOhtAoR
_audit_creation_date            2020-05-07
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Phys. Rev. Lett."
_citation_journal_volume        113
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            217203
_citation_year                  2014
_citation_DOI                   10.1103/PhysRevLett.113.217203

loop_
_citation_author_name
"C.-Y. Kuo"
"Y. Drees"
"M. Fernandez-Diaz"
"L. Zhao"
"L. Vasylechko"
"D. Sheptyakov"
"A. Bell"
"T. Pi"
"H.-J. Lin"
"M.-K. Wu"
"E. Pellegrin"
"S. Valvidares"
"Z. Li"
"P. Adler"
"A. Todorova"
"R. Kuchler"
"A. Steppke"
"L. Tjeng"
"Z. Hu"
"A. Komarek"



_atomic_positions_source_database_code_ICSD  252077
_atomic_positions_source_other               .

_transition_temperature  480
_experiment_temperature  300

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM2+  1  1  .  primary  3  .

_exptl_crystal_magnetic_properties_details
;
NSD
Above 480K and up to T_N (around 670K) a different phase results of a spin reorientation (see #0.380)
Non-standard setting Pbnm of the parent space group
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (4 possible)
1-dim irrep as primary
Irrep label used here is for the parent standard setting Pnma
weak FM along a (setting Pbnm) is symmetry allowed
Despite some statements in the literature, the symmetry of this magnetic structure forbids any kind of magnetically induced ferroelectricity: the magnetic point group is non-polar
;

_parent_space_group.name_H-M_alt  'P b n m'
_parent_space_group.IT_number                       62
_parent_space_group.transform_Pp_abc  'b,c,a;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  'b,c,a;0,0,0'



_space_group_magn.number_BNS  62.446
_space_group_magn.name_BNS  "P n' m' a"
_cell_length_a             5.39830
_cell_length_b             5.59870
_cell_length_c             7.70710
_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+1/2,-y+1/2,-z,+1
3 -x,-y,-z,+1
4 -x+1/2,y+1/2,z,+1
5 -x+1/2,y+1/2,-z+1/2,-1
6 -x,-y,z+1/2,-1
7 x+1/2,-y+1/2,z+1/2,-1
8 x,y,-z+1/2,-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
Sm1 Sm 0.48662 0.44325 0.75000
Fe1 Fe 0.00000 0.50000 0.00000
O1 O 0.59476 0.02891 0.75000
O2 O 0.69947 0.29913 0.04971

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 0.00000 0.00000 3.692(53) mx,my,mz

