#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 04/08/2020

data_5yOhtAoR
_audit_creation_date            2020-04-08
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "J. Phys.: Condens. Matter"
_citation_journal_volume        24
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            016004
_citation_year                  2012
_citation_DOI                   10.1088/0953-8984/24/1/016004

loop_
_citation_author_name
"M. Frontzek"
"G. Ehlers"
"A. Podlesnyak"
"H. Cao"
"M. Matsuda"
"O. Zaharko"
"N. Aliouane"
"S. Barilo"
"S.V. Shiryaev"




_atomic_positions_source_database_code_ICSD  402290
_atomic_positions_source_other               .

_transition_temperature     23.6
_experiment_temperature     5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mSM2 2 1 . primary 2 .
mSM2 2 1 . primary 2 .

_exptl_crystal_magnetic_properties_details
;
NSD
Position structure from a room temperature determination taken from icsd
Modulus magnetic moment in the direction
;

_active_magnetic_irreps_details
;
1k incommensurate magnetic structure
Simple spin spiral modulation, which however from the viewpoint of symmetry and Landau theory requires the superposition of two order parameters transforming according to the same irrep but shifted by pi/2 (i.e. two modulations with the same irrep, but being phase shifted the resulting superposed modulation does not transform according to this irrep).
;

_parent_space_group.name_H-M_alt  "R -3 m"
_parent_space_group.IT_number             166
_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 0.329800 0.329800 0.000000


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

_space_group.magn_ssg_name  X21'(a,a,0)ss
_space_group.magn_point_group_name  "21'"
_space_group.magn_point_group_number  3.2.7
_cell_length_a                 2.9734
_cell_length_b                 2.9734
_cell_length_c                 17.100
_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 x2,x1,-x3,x4+1/2,+1

loop_
_space_group_symop_magn_ssg_centering.id
_space_group_symop_magn_ssg_centering.algebraic
1 x1,x2,x3,x4,+1
2 x1+2/3,x2+1/3,x3+1/3,x4,+1
3 x1+1/3,x2+2/3,x3+2/3,x4,+1
4 x1,x2,x3,x4+1/2,-1
5 x1+2/3,x2+1/3,x3+1/3,x4+1/2,-1
6 x1+1/3,x2+2/3,x3+2/3,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
Cu1 Cu 0 0 0 1
Cr1 Cr 0 0 0.5 1
O1 O 0 0 0.10792 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
Cr1 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
Cr1 x 1 1.56  0 mxc1 mxs1
Cr1 y 1 -1.56 0 -mxc1 -mxs1
Cr1 z 1  0  2.8(2) mzc1 mzs1


