#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 16:51:34
# Database entry: 0.59 Cr2O3
# Cif-like file for the case 0.59


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        "J. Phys.: Condens. Matter"
_citation_journal_volume        14
_citation_page_first            1957
_citation_page_last             1966
_citation_article_id            .
_citation_year                  2002
_citation_DOI                   10.1088/0953-8984/14/8/323

loop_
_citation_author_name
"P.J. Brown"
"J.B. Forsyth"
"E. Lelievre-Berna"
"F. Tasset"






_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature     343
_experiment_temperature     24

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM1- 1 1 . primary . .

_exptl_crystal_magnetic_properties_details
;
SNP
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (4 possible)
;

_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  'a,b,c;0,0,0'


_space_group_magn.number_BNS  167.106
_space_group_magn.name_BNS  "R  -3'c'  "
_space_group_magn.point_group_name  "-3'm'"
_space_group_magn.point_group_number  "20.4.74"
_cell_length_a                 4.9607
_cell_length_b                 4.9607
_cell_length_c                 13.599
_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,x-y,z,+1
3 -x+y,-x,z,+1
4 x-y,-y,-z+1/2,+1
5 y,x,-z+1/2,+1
6 -x,-x+y,-z+1/2,+1
7 -x,-y,-z,-1
8 y,-x+y,-z,-1
9 x-y,x,-z,-1
10 -x+y,y,z+1/2,-1
11 -y,-x,z+1/2,-1
12 x,x-y,z+1/2,-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 Cr3+ 0.00000 0.00000 0.3476 1
O1 O 0.3056 0.00000 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 0.0 0.0 2.48(3) 0,0,mz

