#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 17:18:18
# Database entry: 1.168 Sr2CuTeO6
# Cif-like file for the case 1.168


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 Cu Te O6'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        93
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            054426
_citation_year                  2016
_citation_DOI                   10.1103/PhysRevB.93.054426

loop_
_citation_author_name
"T. Koga"
"N. Kurita"
"M. Avdeev"
"S. Danilkin"
"T.J. Sato"
"H. Tanaka"




_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature     29
_experiment_temperature     1.5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mX2+ 2 1 . primary 2 .

_exptl_crystal_magnetic_properties_details
;
NPD
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (2 possible)
1-dim small irrep active
collinearity of structure is symmetry protected
A specific direction of the spins on the ab plane is not symmetry forced by the MSG or the irrep.
The direction along a for the spins seems to have been assumed arbitrarily.
;

_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  '2a,2b,c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  '1/2a-1/2b,c,-a;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                 10.83680
_cell_length_b                 10.83680
_cell_length_c                 8.45210
_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,z,+1
3 -x,-y,-z,+1
4 x+1/2,y,-z,+1

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1
2 x+1/4,y+3/4,z+1/2,+1
3 x+1/2,y+1/2,z,+1
4 x+3/4,y+1/4,z+1/2,+1
5 x+1/2,y,z,-1
6 x+3/4,y+3/4,z+1/2,-1
7 x,y+1/2,z,-1
8 x+1/4,y+1/4,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 0.25000 0.25000 1
Cu1 Cu 0.00000 0.00000 0.00000 1
Te1 Te 0.00000 0.00000 0.50000 1
O1_1 O 0.15130 0.10365 0.00000 1
O1_2 O 0.89635 0.15130 0.00000 1
O2 O 0.00000 0.00000 0.27500 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
Cu1 -0.69(6) 0.0 0.0 mx,my,0

