#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 17:19:16
# Database entry: 1.186 SrRu2O6
# Cif-like file for the case 1.186


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                    'Sr Ru2 O6'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        92
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            100404(R)
_citation_year                  2015
_citation_DOI                   10.1103/PhysRevB.92.100404

loop_
_citation_author_name
"W. Tian"
"C. Svoboda"
"M. Ochi"
"M. Matsuda"
"H.B. Cao"
"J.-G. Cheng"
"B.C. Sales"
"D.G. Mandrus"
"R. Arita"
"N. Trivedi"
"J.-Q. Yan"




_atomic_positions_source_database_code_ICSD   248351
_atomic_positions_source_other               .

_transition_temperature     565
_experiment_temperature     300

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mA1+ 1 1 . primary 1 .

_exptl_crystal_magnetic_properties_details
;
NPD
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (2 possible)
1-dim irrep active
;

_parent_space_group.name_H-M_alt  'P  -31m'
_parent_space_group.IT_number                       162
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [0 0 1/2]

_parent_space_group.child_transform_Pp_abc  'a,b,2c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  'a,b,c;0,0,0'


_space_group_magn.number_BNS  162.78
_space_group_magn.name_BNS  "P_c  -31m"
_space_group_magn.point_group_name  "-3m1'"
_space_group_magn.point_group_number  "20.2.72"
_cell_length_a                 5.20570
_cell_length_b                 5.20570
_cell_length_c                 10.46910
_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,x-y,-z,+1
5 -x+y,y,-z,+1
6 -y,-x,-z,+1
7 -x,-y,-z,+1
8 y,-x+y,-z,+1
9 x-y,x,-z,+1
10 -x,-x+y,z,+1
11 x-y,-y,z,+1
12 y,x,z,+1

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1
2 x,y,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
Sr1 Sr 0.00000 0.00000 0.00000 1
Ru1 Ru 0.333333 0.666667 0.25000 1
O1 O 0.37873 0.00000 0.14900 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 0.0 0.0 1.30(2) 0,0,mz

