#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 17:04:00
# Database entry: 1.0.5 Sr3CoIrO6
# Cif-like file for the case 1.0.5


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                    'Sr3 Co Ir O6'
_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            134409
_citation_year                  2012
_citation_DOI                   10.1103/physrevb.86.134409

loop_
_citation_author_name
"D. Mikhailova"
"B. Schwarz"
"A. Senyshyn"
"A.M.T. Bell"
"Y. Skourski"
"H. Ehrenberg"
"A.A. Tsirlin"
"S. Agrestini"
"M. Rotter"
"P. Reichel"
"J.M. Chen"
"Z. Hu"
"Z.M. Li"
"Z.F. Li"
"L.H. Tjeng"





_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature     73
_experiment_temperature     4

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mLD1 2 2 special primary . .

_exptl_crystal_magnetic_properties_details
;
NPD
ferromagnetic along z.
secondary mode is not present in the model, making the moments of Co1_2 and Co1_2 correlated by the primary mode mLD1 (the same for Ir1_1 and Ir1_2).
The reference identifies incorrectly the magnetic symmetry as R-3.
;

_active_magnetic_irreps_details
;
1k magnetic structure
k=0 spin wave (3rd harmonic) allowed
k-maximal magnetic symmetry (8 possible)
Null amplitude of secondary spin mode mGM2+ (ferromagnetic)
;

_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 1]

_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  165.95
_space_group_magn.name_BNS  "P  -3c'  1"
_space_group_magn.point_group_name  "-3m'"
_space_group_magn.point_group_number  "20.5.75"
_cell_length_a                 9.6198
_cell_length_b                 9.6198
_cell_length_c                 11.1578
_cell_angle_alpha              90.0000
_cell_angle_beta               90.0000
_cell_angle_gamma              120.0000

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
7 x-y,-y,-z+1/2,-1
8 y,x,-z+1/2,-1
9 -x,-x+y,-z+1/2,-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

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Sr_1 Sr 0.36360 0.00000 0.25000 1
Sr_2 Sr 0.03027 0.33333 0.58333 1
Co_1 Co 0.00000 0.00000 0.25000 1
Co_2 Co 0.66667 0.33333 0.58333 1
Ir_1 Ir 0.00000 0.00000 0.00000 1
Ir_2 Ir 0.66667 0.33333 0.33333 1
O_1 O 0.17270 0.02030 0.11320 1
O_2 O 0.83937 0.35363 0.44653 1
O_3 O 0.68697 0.50603 0.72013 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
Co_1 0.0 0.0 3.6(1) 0,0,mz
Co_2 0.0 0.0 -1.8 0,0,mz
Ir_1 0.0 0.0 -0.6(1) 0,0,mz
Ir_2 0.0 0.0 0.3 0,0,mz

