#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 06/12/2024
# from a file submitted by M. Stekiel

data_5yOhtAoR
_audit_creation_date            2024-06-12
_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                    "Al3 Ce1 Pt1"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "Phys. Rev. Res."
_citation_journal_volume        5
_citation_page_first            .
_citation_page_last             .
_citation_article_id            013058
_citation_year                  2023
_citation_DOI                   10.1103/PhysRevResearch.6.023117

loop_
_citation_author_name
"M. Stekiel"
"P. Cermak"
"C. Franz"
"W. Simeth"
"S. Weber"
"E. Ressouche"
"W. Schmidt"
"K. Nemkovski"
"H. Deng"
"A. Bauer"
"C. Pfleiderer"
"A. Schneidewind"

_temperature_position_structure         300
_temperature_atom_positions             .
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature    3
_experiment_temperature     1.5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mSM2 4 2 general primary 2 .

_exptl_crystal_magnetic_properties_details
;
Cycloidal magnetic modulation in CePtAl3.
Dataset collected at 1.5 K and zero field, in the multi-domain state.
This structure corresponds to Fig.6a and Fig.6b depictions in original paper.
;

_active_magnetic_irreps_details
;
1k incommensurate magnetic structure
2-dim small irrep. The irrep has two pairs (k,-k) vectors. Only one is active
The cycloidal modulation is forced by MSSG and the only irrep involved.
;

_parent_space_group.name_H-M_alt  I4mm
_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 0.676000 0.000000 0.000000


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

_space_group.magn_ssg_name  'Imm2.1'(a00)0s0s'
_space_group.magn_point_group_name  "mm2.1'"
_space_group.magn_point_group_number  7.2.21
_cell_length_a                 4.31
_cell_length_b                 4.31
_cell_length_c                 10.65
_cell_angle_alpha              90
_cell_angle_beta               90
_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,-x4,+1
3 x1,-x2,x3,x4+1/2,+1
4 -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+1/2,x2+1/2,x3+1/2,x4,+1
3 x1,x2,x3,x4+1/2,-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 0 0.00 1
  Pt2 Pt 0 0 0.636 0.76
  Al2 Al 0 0 0.636 0.24
  Al3 Al 0 0 0.410 0.76
  Pt3 Pt 0 0 0.376 0.24
  Al4_1 Al 0 0.5 0.251 1
  Al4_2 Al -0.5 0 0.251 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 0 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
Ce1 x 1 0 0.85(3) 0 Mys1
Ce1 y 1 0 0 0 0
Ce1 z 1 0.48(4) 0 Mzc1 0

