#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 16:47:57
# Database entry: 0.16 EuTiO3
# Cif-like file for the case 0.16


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


_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        86
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            094432
_citation_year                  2012
_citation_DOI                   10.1103/physrevb.86.094432

loop_
_citation_author_name
"V. Scagnoli"
"M. Allieta"
"H. Walker"
"M. Scavini"
"T. Katsufuji"
"L. Sagarna"
"O. Zaharko"
"C. Mazzoli"






_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               'PHYSICAL REVIEW B 85, 184107 (2012)'

_transition_temperature     5.3
_experiment_temperature     ?

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM5- 2 2 special primary . .

_exptl_crystal_magnetic_properties_details
;
NPD and RXS
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
;

_parent_space_group.name_H-M_alt  'I  4/m  c  m'
_parent_space_group.IT_number                       140
_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,a+b,c;0,1/2,1/2'


_space_group_magn.number_BNS  69.523
_space_group_magn.name_BNS  "F  m'  m  m"
_space_group_magn.point_group_name  "m'mm"
_space_group_magn.point_group_number  "8.3.26"
_cell_length_a                 5.5150
_cell_length_b                 5.5150
_cell_length_c                 7.8050
_cell_angle_alpha              90.0000
_cell_angle_beta               90.0000
_cell_angle_gamma              90.0000

loop_
_space_group_symop_magn_operation.id
_space_group_symop_magn_operation.xyz
1 x,y,z,+1
2 -y+1/2,-x+1/2,-z,+1
3 -y+1/2,-x+1/2,z,+1
4 x,y,-z,+1
5 y+1/2,x+1/2,-z,-1
6 -x,-y,z,-1
7 -x,-y,-z,-1
8 y+1/2,x+1/2,z,-1

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

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ti1 Ti 0.50000 0.50000 0.00000 1
Eu1 Eu 0.50000 0.00000 0.25000 1
O1 O 0.50000 0.50000 0.75000 1
O2_1 O 0.74100 0.75900 0.00000 1
O2_2 O 0.75900 0.25900 0.00000 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
Eu1 -4.9 -4.9 0.0 mx,mx,0

