#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 16:55:08
# Database entry: 0.97 FeSb2O4
# Cif-like file for the case 0.97


data_5yOhtAoR
_audit_creation_date            2017-11-19
_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                    'Fe Sb2 O4'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "Phys. Rev."
_citation_journal_volume        147
_citation_page_first            415
_citation_page_last             418
_citation_article_id            .
_citation_year                  1966
_citation_DOI                   10.1103/PhysRev.147.415

loop_
_citation_author_name
"J.A. Gonzalo"
"D.E. Cox"
"G. Shirane"






_atomic_positions_source_database_code_ICSD   182798
_atomic_positions_source_other               .

_transition_temperature     ?
_experiment_temperature     4.2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM2+ 1 1 . primary ? ?
mGM5- 2 2 special primary ? ?

_exptl_crystal_magnetic_properties_details
;
NPD
room temperature positional structure
;

_active_magnetic_irreps_details
;
1k magnetic structure
2 primary irreps active
The higher centrosymmetric symmetry Pb'am (55.355) is only broken by the small component along c. This c component corresponds to a different irrep.
If the magnetic structure is correct, this phase could be a type II multiferroic, with magnetically induced ferroelectric polarization along the b direction (equivalently the a direction in twin-related domain).
Linear magnetoelectricity has been observed, but spontaneous electric polarization is reported negligible (Japn J. Appl. Phys 53, 05FB02 (2014)). This would be consistent with the higher MSG Pb'am (a single irrep) that also allows linear magnetoelectricity, but is non-polar.
;

_parent_space_group.name_H-M_alt  'P  4_2/m  b  c'
_parent_space_group.IT_number                       135
_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,-a,b;1/4,0,0'


_space_group_magn.number_BNS  26.66
_space_group_magn.name_BNS  "P  m  c  2_1"
_space_group_magn.point_group_name  "mm2"
_space_group_magn.point_group_number  "7.1.20"
_cell_length_a                 8.61750
_cell_length_b                 8.61750
_cell_length_c                 5.92070
_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

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
Fe1 Fe 0.00000 0.50000 0.25000 1
Sb1_1 Sb 0.17720 0.16480 0.00000 1
Sb1_2 Sb 0.82280 0.83520 0.00000 1
Sb1_3 Sb 0.83520 0.17720 0.50000 1
Sb1_4 Sb 0.16480 0.82280 0.50000 1
O1_1 O 0.67940 0.17940 0.25000 1
O1_2 O 0.32060 0.82060 0.25000 1
O2_1 O 0.09990 0.64190 0.00000 1
O2_2 O 0.90010 0.35810 0.00000 1
O2_3 O 0.35810 0.09990 0.50000 1
O2_4 O 0.64190 0.90010 0.50000 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 3.5(2) 0.9(2) 0.7(2) mx,my,mz

