#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 16:48:21
# Database entry: 0.25 NaOsO3
# Cif-like file for the case 0.25


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                    'Na Os O3'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "PHYSICAL REVIEW LETTERS"
_citation_journal_volume        108
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            257209
_citation_year                  2012
_citation_DOI                   10.1103/physrevlett.108.257209

loop_
_citation_author_name
"S. Calder"
"V.O. Garlea"
"D.F. McMorrow"
"M.D. Lumsden"
"M.B. Stone"
"J.C. Lang"
"J.-W. Kim"
"J.A. Schlueter"
"Y.G. Shi"
"K. Yamaura"
"Y.S. Sun"
"Y. Tsujimoto"
"A.D. Christianson"






_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               'Shi et al., Phys Rev B (2009) 80,161104(R)'

_transition_temperature     410
_experiment_temperature     200

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
? ? ? ? ? . .

_exptl_crystal_magnetic_properties_details
;
NPD
;

_active_magnetic_irreps_details
;
1k magmetic structure
k-maximal magnetic symmetry
1-dim irrep
Ax,Fy,Gz
possible weak ferromagnetism along y
;

_parent_space_group.name_H-M_alt  'P  n  m  a'
_parent_space_group.IT_number                       62
_parent_space_group.transform_Pp_abc  'a,b,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,c;0,0,0'


_space_group_magn.number_BNS  62.448
_space_group_magn.name_BNS  "P  n'  m  a'  "
_space_group_magn.point_group_name  "m'm'm"
_space_group_magn.point_group_number  "8.4.27"
_cell_length_a                 5.3842
_cell_length_b                 7.5804
_cell_length_c                 5.3282
_cell_angle_alpha              90.0000
_cell_angle_beta               90.0000
_cell_angle_gamma              90.0000

loop_
_space_group_symop_magn_operation.id
_space_group_symop_magn_operation.xyz
1 x,y,z,+1
2 -x,y+1/2,-z,+1
3 -x,-y,-z,+1
4 x,-y+1/2,z,+1
5 x+1/2,-y+1/2,-z+1/2,-1
6 -x+1/2,-y,z+1/2,-1
7 -x+1/2,y+1/2,z+1/2,-1
8 x+1/2,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
Na1 Na 0.03280 0.25000 0.99935 1
Os1 Os 0.00000 0.00000 0.50000 1
O1 O 0.48340 0.25000 0.08080 1
O2 O 0.28810 0.03940 0.71120 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
Os1 0.0 0.0 1.0(1) mx,my,mz

