#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 16:48:04
# Database entry: 0.19 MnTiO3
# Cif-like file for the case 0.19


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                    'Mn Ti O3'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "J. Phys. Soc. Japan"
_citation_journal_volume        14
_citation_page_first            1352
_citation_page_last             ?
_citation_article_id            .
_citation_year                  1959
_citation_DOI                   10.1143/jpsj.14.1352

loop_
_citation_author_name
"G. Shirane"
"S.J. Pickart"
"Y. Ishikawa"






_atomic_positions_source_database_code_ICSD   171579
_atomic_positions_source_other               .

_transition_temperature     63
_experiment_temperature     4.2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
? ? ? ? ? . .

_exptl_crystal_magnetic_properties_details
;
NPD
cell parameters ref 1959: a=5.1373, c=14.2854
;

_active_magnetic_irreps_details
;
1k mgnetic structure
k-maximal magnetic symmetry
1-dim irrep active
;

_parent_space_group.name_H-M_alt  'R  -3'
_parent_space_group.IT_number                       148
_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  148.19
_space_group_magn.name_BNS  "R  -3'"
_space_group_magn.point_group_name  "-3'"
_space_group_magn.point_group_number  "17.3.64"
_cell_length_a                 5.13860
_cell_length_b                 5.13860
_cell_length_c                 14.28570
_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,-z,-1
5 y,-x+y,-z,-1
6 x-y,x,-z,-1

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1
2 x+2/3,y+1/3,z+1/3,+1
3 x+1/3,y+2/3,z+2/3,+1

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mn1 Mn 0.00000 0.00000 0.36020 1
Ti1 Ti 0.00000 0.00000 0.14780 1
O1 O 0.32000 0.02920 0.24260 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
Mn1 0.0 0.0 4.55 0,0,mz

