#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 05/22/2020

data_5yOhtAoR
_audit_creation_date            2020-05-22
_audit_creation_method          "Bilbao Crystallographic Server"


_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        80
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            024404
_citation_year                  2009
_citation_DOI                   10.1103/PhysRevB.80.024404

loop_
_citation_author_name
"M.G. Banks"
"R.K. Kremer"
"C. Hoch"
"A. Simon"
"B. Ouladdiaf"
"J.-M. Broto"
"H. Rakoto"
"C. Lee"
"M.-H. Whangbo"




_atomic_positions_source_database_code_ICSD  66645
_atomic_positions_source_other               .

_transition_temperature     23.9
_experiment_temperature     2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mU1 2  1 .  primary  2  .
mU2 2  1 .  primary  1  .

_exptl_crystal_magnetic_properties_details
;
NPD
Cell parameters from a determination at 2.55K in the same publication. Atomic positions from a room temperature determination retrieved from ICSD
The propagation vector has been changed here to an equivalent one
;

_active_magnetic_irreps_details
;
1k incommensurate structure
Two irreps involved as primary, the two irrep modulations superposed in quadrature.
Spin modulation lowers point group symmetry into m1', breaking inversion symmetry.
Polar symmetry on the ac plane, allowing magnetic induced ferroelectricity (type II multiferroic).
;

_parent_space_group.name_H-M_alt  "C 2/m"
_parent_space_group.IT_number             12
_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 0.7743(6) 0.500000


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

_space_group.magn_ssg_name  "Cm1'(0b1/2)0s"
_space_group.magn_point_group_name  "m1'"
_space_group.magn_point_group_number  4.2.10
_cell_length_a                 6.7986(3)
_cell_length_b                 3.29418(12)
_cell_length_c                 6.7718(3)
_cell_angle_alpha              90
_cell_angle_beta               122.45(2)
_cell_angle_gamma              90

loop_
_space_group_symop_magn_ssg_operation.id
_space_group_symop_magn_ssg_operation.algebraic
1 x1,x2,x3,x4,+1
2 x1,-x2,x3,x3-x4+1/2,+1
3 x1,x2,x3,x4+1/2,-1
4 x1,-x2,x3,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+1/2,x2+1/2,x3,x4,+1
3 x1,x2,x3,x4+1/2,-1
4 x1+1/2,x2+1/2,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
Cu1 Cu 0 0 0 1
Cl1_1 Cl 0.5048 0 0.2294 1
Cl1_2 Cl -0.5048 0 -0.2294 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 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
Cu1 x 1 0   0    mxc1 0
Cu1 y 1 0   0.5  0  mys1
Cu1 z 1 0.5 0    mzc1 0

