#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 02/03/2023
# From an mcif file provided by Clemens Ritter

data_5yOhtAoR
_audit_creation_date            2023-02-03
_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                    "Ce1 Rh0.25 Pd0.75 Sn1"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "Phys. Rev. B"
_citation_journal_volume       106
_citation_page_first            .
_citation_page_last             .
_citation_article_id            064436
_citation_year                  2022
_citation_DOI                   10.1103/PhysRevB.106.064436

loop_
_citation_author_name
"R. Tripathi"
"D.T. Adroja"
"C. Ritter"
"S. Sharma"
"C. Yang"
"A.D. Hillier"
"M. Koza"
"F. Demmel"
"A. Sundaresan"
"S. Langridge"
"W. Higemoto"
"T.U. Ito"
"A.M. Strydom"
"G.B.G. Stenning"
"A. Bhattacharyya"
"D. Keen"
"H.C. Walker"
"R.S. Perry"
"F. Pratt"
"Q. Si"
"T. Takabatake"


_temperature_position_structure        .
_temperature_atom_positions            .
_temperature_non-magn_atom_positions   .
_temperature_cell_parameters           .

_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature     5
_experiment_temperature     1.5

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

_exptl_crystal_magnetic_properties_details
; 
NPD
This incommensurate magnetic structure appears below TN1=5K but changes into a commensurate one with k=[0,0,1/2] below TN2=1.3 K (see #1.737)
The composition according to the structure determination is CeRh0.2Pd0.8Sn
;

_active_magnetic_irreps_details
;
1k incommensurate magnetic structure
2-dim (k,-k) full irrep as primary
;

_parent_space_group.name_H-M_alt  "P -6 2 m"
_parent_space_group.IT_number             189
_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 0.00000 0.00000 0.39000


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

_space_group.magn_ssg_name  "P-62m.1'(0,0,g)00ss"
_space_group.magn_point_group_name  "-6m2.1'"
_space_group.magn_point_group_number  26.2.96
_cell_length_a                 7.53050
_cell_length_b                 7.53050
_cell_length_c                 4.12630
_cell_angle_alpha              90.00000
_cell_angle_beta               90.00000
_cell_angle_gamma              120.00000

loop_
_space_group_symop_magn_ssg_operation.id
_space_group_symop_magn_ssg_operation.algebraic
1 x1,x2,x3,x4,+1
2 -x2,x1-x2,x3,x4,+1
3 -x1+x2,-x1,x3,x4,+1
4 x1-x2,-x2,-x3,-x4+1/2,+1
5 x2,x1,-x3,-x4+1/2,+1
6 -x1,-x1+x2,-x3,-x4+1/2,+1
7 -x1+x2,-x1,-x3,-x4,+1
8 x1,x2,-x3,-x4,+1
9 -x2,x1-x2,-x3,-x4,+1
10 -x1,-x1+x2,x3,x4+1/2,+1
11 x1-x2,-x2,x3,x4+1/2,+1
12 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,x2,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
Ce1 Ce 0.58570 0.00000 0.00000 1.00000
Rh1 Rh 0.00000 0.00000 0.00000 0.19992
Pd1 Pd 0.00000 0.00000 0.00000 0.79992
Rh2 Rh 0.33333 0.66667 0.50000 0.19998
Pd2 Pd 0.33333 0.66667 0.50000 0.79998
Sn1 Sn 0.24880 0.00000 0.50000 1.00000


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 0.0 ? ?

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 0.00000 0.00000 0 mxs1
Ce1 y 1 0.00000 0.00000 0 0
Ce1 z 1 1.22(1) 0.00000 mzc1 0



