#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/30/2017 16:46:38
# Database entry: 1.1.38 MnSb2O6
# Cif-like file for the case 1.1.38


data_5yOhtAoR
_audit_creation_date            2017-11-30
_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                    'Mn Sb2 O6'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "Physical Review Letters"
_citation_journal_volume        111
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            017202
_citation_year                  2013
_citation_DOI                   10.1103/PhysRevLett.111.017202

loop_
_citation_author_name
"R.D. Johnson"
"K. Cao"
"L.C. Chapon"
"F. Fabrizi"
"N. Perks"
"P. Manuel"
"J.J. Yang"
"Y.S. Oh"
"S.-W. Cheong"
"P.G. Radaelli"




_atomic_positions_source_database_code_ICSD   202953
_atomic_positions_source_other               .

_transition_temperature     12.5
_experiment_temperature     6

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

_exptl_crystal_magnetic_properties_details
;
NPD
Plane of rotation of the cycloids could not be determined. Here the plane has been chosen to maximize the symmetry, keeping one of the binary point-group symmetry operations of the parent symmetry.
Positional structure from a measurement at 14K (icsd 202953)
;

_active_magnetic_irreps_details
;
Two irrep modes involved. The cycloidal modulation is forced by symmetry for Mn1_1.
Symmetry (or irrep modes involved) allow the tilting of the plane of the rotation of the Mn1_1 spins. The normal of the plane is only symmetry forced to be perpendicular to the <1,0,0> of the preserved binary axis.
The form of the spin modulations of Mn1_2 can be more general within the resulting superspace symmetry.
;

_parent_space_group.name_H-M_alt              'P 321'
_parent_space_group.IT_number             150
_parent_space_group.transform_Pp_abc    'a,b,c;0,0,0'

_cell_modulation_dimension               1

loop_
_cell_wave_vector_seq_id
_cell_wave_vector_x
_cell_wave_vector_y
_cell_wave_vector_z
1 0.000000 0.000000 0.182000


_parent_space_group.child_transform_Pp_abc  'a,b,c;0,0,0'

_space_group.magn_ssg_name  "C21'(00\g)0s"
_space_group.magn_point_group_name  "21'"
_space_group.magn_point_group_number  "3.2.7"
_cell_length_a                 8.8020(10)
_cell_length_b                 8.8020(10)
_cell_length_c                 4.7210(4)
_cell_angle_alpha              90
_cell_angle_beta               90
_cell_angle_gamma              120

loop_
_space_group_symop_magn_ssg_operation.id
_space_group_symop_magn_ssg_operation.algebraic
1 x1,x2,x3,x4,+1
2 x1-x2,-x2,-x3,-x4,+1

loop_
_space_group_symop_magn_ssg_centering.id
_space_group_symop_magn_ssg_centering.algebraic
1 x1,x2,x3,x4,+1
2 x1,x2,x3,x4+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
Mn1_1 Mn 0.6380(9) 0 0 1
Mn1_2 Mn 0 0.6380(9) 0 1
Sb1_1 Sb 0 0 0 1
Sb2_1 Sb 0.333333 0.666667 0.507(2) 1
Sb3_1 Sb 0.3074(7) 0 0.5 1
Sb3_2 Sb 0 0.3074(7) 0.5 1
O1_1 O 0.1013(7) 0.8905(5) 0.7644(7) 1
O1_2 O -0.8905(5) -0.7892(9) 0.7644(7) 2
O2_1 O 0.4724(9) 0.5898(5) 0.7300(10) 1
O2_2 O -0.5898(5) -0.1174(10) 0.7300(10) 2
O3_1 O 0.2235(7) 0.7736(8) 0.2842(8) 1
O3_2 O -0.7736(8) -0.5501(11) 0.2842(8) 2


loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
Mn1_1 0 0 0 0,0,0
Mn1_2 0 0 0 0,0,0

loop_
_atom_site_Fourier_wave_vector.seq_id
_atom_site_Fourier_wave_vector.q1_coeff
1 1

loop_
_atom_site_moment_Fourier.atom_site_label
_atom_site_moment_Fourier.axis
_atom_site_moment_Fourier.wave_vector_seq_id
_atom_site_moment_Fourier_param.cos
_atom_site_moment_Fourier_param.sin
_atom_site_moment_Fourier_param.cos_symmform
_atom_site_moment_Fourier_param.sin_symmform
Mn1_1 x 1 4.12(3) 0 mxc1 mxs1
Mn1_1 y 1 0 0 0 2*mxs1
Mn1_1 z 1 0 4.12(3) 0 mzs1
Mn1_2 x 1 -2.06 -3.56802 mxc1 mxs1
Mn1_2 y 1 0 0 myc1 mys1
Mn1_2 z 1 3.56802 -2.06 mzc1 mzs1


