#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 01/29/2022

data_5yOhtAoR
_audit_creation_date            2022-01-29
_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                    "Ce Cu Ga3"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        104
_citation_page_first            .
_citation_page_last             .
_citation_article_id            174438
_citation_year                  2021
_citation_DOI                   10.1103/PhysRevB.104.174438

loop_
_citation_author_name
"V. K. Anand"
"A. Fraile"
"D. T. Adroja"
"S. Sharma"
"R. Tripathi"
"C. Ritter"
"C. de la Fuente"
"P. K. Biswas"
"V. Garcia Sakai"
"A. del Moral"
"A. M. Strydom"

_temperature_position_structure         10
_temperature_atom_positions             ?
_temperature_non-magn_atom_positions    ?
_temperature_cell_parameters            ?

_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               "Martin et al., Phys. Rev B 57, 7419 (1998); DOI:10.1103/PhysRevB.57.7419"

_transition_temperature     2.4(1)
_experiment_temperature     1.7

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mDT2 4 1 special primary 2 .

_exptl_crystal_magnetic_properties_details
;
NPD
Position structure is not given. Here one at 10K from another source is used.
Ce moment amplitude of its sibusoidal modulation: 0.95(1)
;

_active_magnetic_irreps_details
;
1k incommensurate magnetic structure
2-dim (k,k) irrep 
The irrep has 2 (k,-k) pairs in the star. 2k incommensurate arrangements of higher symmetry with the 4 vectors involved, which could equally fit the data are not discussed""
The MSSG allows a cycloidal arrangement with a spin component along c in quadrature with the component along the (1,1,0) direction. Not clear if the possible fit of this specific arrangement was checked.
;

_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 0.14800 0.14800 0.00000

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

_space_group.magn_ssg_name  "I m m 2 1'(0,0,g)0s0s"
_space_group.magn_point_group_name  "mm21'"
_space_group.magn_point_group_number  7.2.21
_cell_length_a                 4.24500
_cell_length_b                 4.24500
_cell_length_c                 10.42000
_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
3 x2,x1,x3,x4+1/2,+1
4 -x2,-x1,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
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 0.61290 1
Ga1 Ga 0.00000 0.00000 0.38710 1
Ga2 Ga 0.00000 0.50000 0.25000 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
_atom_site_moment.magnitude
_atom_site_moment.spherical_azimuthal
_atom_site_moment.spherical_polar
Ce1 0.00000 0.00000 0.00000 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
Ce1 x 1 0.67 0.00000 Mxc1 0
Ce1 y 1 0.67 0.00000 Mxc1 0
Ce1 z 1 0.00000 0.00000 0 Mzs1

