#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 17:02:00
# Database entry: 0.148 La2LiRuO6
# Cif-like file for the case 0.148


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                    'La2 Li Ru O6'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "Journal of Solid State Chemistry"
_citation_journal_volume        175
_citation_page_first            20
_citation_page_last             26
_citation_article_id            .
_citation_year                  2003
_citation_DOI                   10.1016/S0022-4596(03)00081-1

loop_
_citation_author_name
"P.D. Battle"
"C.P. Grey"
"M. Hervieu"
"C. Martin"
"C.A. Moore"
"Y. Paik"






_atomic_positions_source_database_code_ICSD   97488
_atomic_positions_source_other               .

_transition_temperature     30
_experiment_temperature     8

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
;
NPD
Non-standard setting of the parent structure P2_1/n
;

_active_magnetic_irreps_details
;
1k magnetic structure
1-dim irrep active: equivalent to the constraints of the MSG assignment
k-maximal magnetic symmetry
;

_parent_space_group.name_H-M_alt  'P  2_1/n'
_parent_space_group.IT_number                       14
_parent_space_group.transform_Pp_abc  'a,b,a+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+c;0,0,0'


_space_group_magn.number_BNS  14.75
_space_group_magn.name_BNS  "P  2_1/c"
_space_group_magn.point_group_name  "2/m"
_space_group_magn.point_group_number  "5.1.12"
_cell_length_a                 5.54430
_cell_length_b                 5.59630
_cell_length_c                 7.83030
_cell_angle_alpha              90.00
_cell_angle_beta               90.03
_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+1/2,+1
3 -x,-y,-z,+1
4 x+1/2,-y+1/2,z+1/2,+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
La1 La 0.00830 0.95640 0.74910 1
Li1 Li 0.00000 0.50000 0.50000 1
Ru1 Ru 0.00000 0.50000 0.00000 1
O1 O 0.28090 0.69930 0.96000 1
O2 O 0.20160 0.22120 0.95970 1
O3 O 0.92420 0.51570 0.75650 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
Ru1 1.7(1) 0.0 1.4(2) mx,my,mz

