#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 16:57:10
# Database entry: 0.110 Cr2O3
# Cif-like file for the case 0.110


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                    'Cr2 O3'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        54
_citation_page_first            R12681
_citation_page_last             R12684
_citation_article_id            .
_citation_year                  1996
_citation_DOI                   10.1103/PhysRevB.54.R12681

loop_
_citation_author_name
"M. Fiebig"
"D. Frohlich"
"H.J. Thiele"






_atomic_positions_source_database_code_ICSD   75577
_atomic_positions_source_other               .

_transition_temperature     307.6
_experiment_temperature     ?

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM3- 2 2 special primary ? ?
mGM2- 1 1 . secondary ? ?

_exptl_crystal_magnetic_properties_details
;
Second harmonic generation measurements
Phase stabilized under magnetic field along c.
Spin flop above 5.8 T: the spins flop from the c direction to the basal plane, keeping their relative signs.
The direction of the spins is determined from the symmetry of the tensor properties of the domains for second harmonic generation (point group 2'/m), which forces the spin direction to be along the a direction or equivalent.
;

_active_magnetic_irreps_details
;
1k magnetic structure
2-dim irrep active along special direction
weak non-collinear components are symmetry-allowed.
magnitude of Cr moment unknown. It is given an arbitrary value.
Magnetoelectric
;

_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 0]

_parent_space_group.child_transform_Pp_abc  'a,b,c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  '1/3a+2/3b-4/3c,a,-1/3a-2/3b+1/3c;0,1/2,0'


_space_group_magn.number_BNS  15.87
_space_group_magn.name_BNS  "C  2'/c"
_space_group_magn.point_group_name  "2'/m"
_space_group_magn.point_group_number  "5.3.14"
_cell_length_a                 4.95700
_cell_length_b                 4.95700
_cell_length_c                 13.59230
_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 -x+y+1/3,y+2/3,z+1/6,+1
3 x-y+1/3,-y+2/3,-z+1/6,-1
4 -x,-y,-z,-1

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1
2 x+1/3,y+2/3,z+2/3,+1
3 x+2/3,y+1/3,z+1/3,+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 0.34751 1
O1_1 O 0.30570 0.00000 0.25000 1
O1_2 O 0.00000 0.30570 0.25000 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
Cr1 -1. 0.0 0.0 mx,my,mz

