#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 17:10:32
# Database entry: 1.72 Sr2CoOsO6
# Cif-like file for the case 1.72


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                    'Sr2 Co Os O6'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "PHYSICAL REVIEW LETTERS"
_citation_journal_volume        112
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            147202
_citation_year                  2014
_citation_DOI                   10.1103/physrevlett.112.147202

loop_
_citation_author_name
"B. Yan"
"A.K. Paul"
"S. Kanungo"
"M. Reehuis"
"A. Hoser"
"D.M. Tobbens"
"W. Schnelle"
"R.C. Williams"
"T. Lancaster"
"F. Xiao"
"J.S. Moller"
"S.J. Blundell"
"W. Hayes"
"C. Felser"
"M. Jansen"





_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature     108
_experiment_temperature     70

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mX2+ 2 2 special primary . .

_exptl_crystal_magnetic_properties_details
;
NPD
moment Os 1.6(1)
moment Co 0.7(1)
angle with x direction: 43(6) degrees.
Structural monoclinic distortion concomitant with the magnetic ordering.
Effective space group for the structure in standard setting: C2/m with transformation (a,c,1/2a-1/2b;0,0,0). Erroneous effective space group assignment in the reference.
;

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

_parent_space_group.name_H-M_alt  'I  4/m'
_parent_space_group.IT_number                       87
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

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

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


_space_group_magn.number_BNS  15.90
_space_group_magn.name_BNS  "C_c  2/c"
_space_group_magn.point_group_name  "2/m1'"
_space_group_magn.point_group_number  "5.2.13"
_cell_length_a                 7.8112(3)
_cell_length_b                 7.7520(3)
_cell_length_c                 7.9987(3)
_cell_angle_alpha              90.00
_cell_angle_beta               90.00
_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
3 -x,-y,-z,+1
4 x+1/2,y+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,z+1/2,+1
3 x+1/2,y+1/2,z,-1
4 x,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
Sr1 Sr 0.25000 0.25000 0.2505(9) 1
Co1 Co 0.00000 0.00000 0.00000 1
Os1 Os 0.00000 0.00000 0.50000 1
O1 O 0.0066(14) 0.00000 0.2554(5) 1
O2_1 O 0.01820 0.2560(7) 0.00000 1
O2_2 O 0.2567(7) 0.0373(4) -0.0068(18) 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
Co1 1.17 1.09 0.0 mx,my,0
Os1 0.51 0.48 0.0 mx,my,0

