#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 17:15:00
# Database entry: 1.133 CuSb2O6
# Cif-like file for the case 1.133


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                    'Cu Sb2 O6'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "Journal of Magnetism and Magnetic Materials"
_citation_journal_volume        272-276
_citation_page_first            927
_citation_page_last             928
_citation_article_id            .
_citation_year                  2004
_citation_DOI                   10.1016/j.jmmm.2003.12.006

loop_
_citation_author_name
"B. Gibson"
"R. Kremer"
"A. Prokofiev"
"W. Assmus"
"B. Ouladdiaf"




_atomic_positions_source_database_code_ICSD   80576
_atomic_positions_source_other               .

_transition_temperature     8.7
_experiment_temperature     2

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

_exptl_crystal_magnetic_properties_details
;
NSD
non-standard setting P2_1/n for parent
modulus magnetic moment 0.51(2)
The refinement considered two independent Cu sites for the moment orientations. The resulting moments are however symmetry related within their reported standard deviations. The spin configuration is represented here under this symmetry
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (2-possible)
1-dim active irrep (equivalence between the irrep and the magnetic space group)
;

_parent_space_group.name_H-M_alt  'P  2_1/n'
_parent_space_group.IT_number                       14
_parent_space_group.transform_Pp_abc  'a,b,a+c;0,0,0'

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

_parent_space_group.child_transform_Pp_abc  '2a,b,2c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  'a,b,1/2a+1/2c;0,0,0'


_space_group_magn.number_BNS  14.80
_space_group_magn.name_BNS  "P_a  2_1/c"
_space_group_magn.point_group_name  "2/m1'"
_space_group_magn.point_group_number  "5.2.13"
_cell_length_a                 9.26980
_cell_length_b                 4.63700
_cell_length_c                 18.58620
_cell_angle_alpha              90.00
_cell_angle_beta               91.12
_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+1/4,y+1/2,-z+1/4,+1
3 -x,-y,-z,+1
4 x+1/4,-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+1/2,y,z+1/2,+1
3 x+1/2,y,z,-1
4 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
Cu1 Cu 0.00000 0.00000 0.00000 1
Sb1 Sb 0.00055 0.00800 0.16690 1
O1 O 0.15650 0.29830 0.00085 1
O2 O 0.14955 0.31760 0.16455 1
O3 O 0.34940 0.70850 0.16240 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 -0.15 0.49 0.0 mx,my,mz

