#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 17:08:05
# Database entry: 1.46 Sr2FeOsO6
# Cif-like file for the case 1.46


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 Fe Os O6'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "PHYSICAL REVIEW LETTERS"
_citation_journal_volume        ?
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            .
_citation_year                  ?
_citation_DOI                   10.1103/physrevlett.111.167205

loop_
_citation_author_name
"A.K. Paul"
"M. Reehuis"
"V. Ksenofontov"
"B. Yan"
"A. Hoser"
"D.M. Tobbens"
"P.M. Abdala"
"P. Adler"
"M. Jansen"
"C. Felser"





_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               "Inorg. Chem. 2013, 52, 6713-6719"

_transition_temperature     67
_experiment_temperature     2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mLD1 2 1 . primary . .

_exptl_crystal_magnetic_properties_details
;
AF2 phase
positional structure at 15K (second reference)
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (6 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 [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;1/4,1/4,1/8'


_space_group_magn.number_BNS  85.64
_space_group_magn.name_BNS  "P_c  4/n"
_space_group_magn.point_group_name  "4/m1'"
_space_group_magn.point_group_number  "11.2.36"
_cell_length_a                 5.51740
_cell_length_b                 5.51740
_cell_length_c                 15.87780
_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 -y,x,z,+1
3 y,-x,z,+1
4 -x,-y,z,+1
5 -x+1/2,-y+1/2,-z+1/4,+1
6 y+1/2,-x+1/2,-z+1/4,+1
7 -y+1/2,x+1/2,-z+1/4,+1
8 x+1/2,y+1/2,-z+1/4,+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_1 Sr 0.00000 0.50000 0.12500 1
Sr1_2 Sr 0.50000 0.00000 0.37500 1
Fe1 Fe 0.00000 0.00000 0.00000 1
Os1 Os 0.00000 0.00000 0.25000 1
O1_1 O 0.00000 0.00000 0.12595 1
O1_2 O 0.00000 0.00000 0.37405 1
O2 O 0.28270 0.21840 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
Fe1 0.0 0.0 -3.07(5) 0,0,mz
Os1 0.0 0.0 0.68(9) 0,0,mz

