#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 03/02/2021 20:26:49

data_5yOhtAoR
_audit_creation_date            2021-03-02
_audit_creation_method          "Bilbao Crystallographic Server"


_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        91
_citation_page_first            .
_citation_page_last             .
_citation_article_id            224419
_citation_year                  2015
_citation_DOI                   10.1103/PhysRevB.91.224419

loop_
_citation_author_name
"M. Klicpera"
"P. Javorsky"
"P. Cermak"
"A. Schneidewind"
"B. Ouladdiaf"
"M. Divis"

_atomic_positions_source_database_code_ICSD  190992
_atomic_positions_source_other               .

_transition_temperature     2.7
_experiment_temperature     1.7

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mC1 8 1 general primary 3 .

_exptl_crystal_magnetic_properties_details
;
NSD
Position structure from a determination at 150K
The origin along x4 is not standard (space inversion includes a x4 translation) in order to coincide with the initial phase chosen in the paper.
The Figure of the structure in the paper is not consistent with the propagation vector indicated in the text. The propagation vector has been assumed correct.
;

_active_magnetic_irreps_details
;
1k incommensurate magnetic structure
k-maximal magnetic symmetry
2-dim extended (k,-k) small irrep along a general direction as primary
;

_parent_space_group.name_H-M_alt  "I 4 m m"
_parent_space_group.IT_number             107
_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 0.4 0.6 0.0


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

_space_group.magn_ssg_name  "I1121'(a,b,0)0s"
_space_group.magn_point_group_name  "21'"
_space_group.magn_point_group_number  3.2.7
_cell_length_a                 4.25270
_cell_length_b                 4.25270
_cell_length_c                 10.66800
_cell_angle_alpha              90.00000
_cell_angle_beta               90.00000
_cell_angle_gamma              90.00000

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,-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,x2,x3,x4+1/2,-1
3 x1+1/2,x2+1/2,x3+1/2,x4,+1
4 x1+1/2,x2+1/2,x3+1/2,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
Ce1 Ce 0.00000 0.00000 0.00000 1
Cu1 Cu 0.00000 0.00000 0.59460 1
Al1 Al 0.00000 0.00000 0.36890 1
Al2_1 Al 0.00000 0.50000 0.25080 1
Al2_2 Al 0.00000 0.50000 0.75080 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
Ce1 0.00000 0.00000 0.00000 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
Ce1 x 1 0.20 0.00000 mxc1 0
Ce1 y 1 0.20 0.00000 myc1 0
Ce1 z 1 0.00000 0.0  0 mzs1


