#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 05/04/2024 

data_5yOhtAoR
_audit_creation_date            2024-05-04
_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                    "Mn3 Rh1 Ge1"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "PHYSICAL REVIEW MATERIALS"
_citation_journal_volume        7
_citation_page_first            .
_citation_page_last             .
_citation_article_id            114402
_citation_year                  2023
_citation_DOI                   10.1103/PhysRevMaterials.7.114402

loop_
_citation_author_name
"A. E. Hall"
"P. Manuel"
"D. D. Khalyavin"
"F. Orlandi"
"D. A. Mayoh"
"L.-J. Chang"
"Y.-S. Chen"
"D. G. C. Jonas"
"M. R. Lees"
"G. Balakrishnan"

_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     225(2)
_experiment_temperature     200

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mDT1 6 2 special primary 18 .

_exptl_crystal_magnetic_properties_details
;
NPD
At lower temperatures a commensurate k=0 phase is reported
The setting used is the standard of the MSSG, different from that of the parent cubic structure. The transformation from the parent setting is (-a,c,b;0.75,0.25,0.75).
;

_active_magnetic_irreps_details
;
1k incommensurate magnetic structure
one single irrep
;

_parent_space_group.name_H-M_alt  'P 2_1 3'
_parent_space_group.IT_number             198
_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 0.000000 0.066319


_parent_space_group.child_transform_Pp_abc  '-a,c,b;0.75,0.25,0.75'

_space_group.magn_ssg_name  "P212121.1'(00\g)000s"
_space_group.magn_point_group_name  "222.1'"
_space_group.magn_point_group_number  "6.1.17"
_cell_length_a                 6.6106
_cell_length_b                 6.6106
_cell_length_c                 6.6106
_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+1/2,-x2,x3+1/2,x4,+1
3 -x1,x2+1/2,-x3+1/2,-x4,+1
4 x1+1/2,-x2+1/2,-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

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mn1_1 Mn 0.6062 0.7043 0.9602 1
Mn1_2 Mn 0.5402 0.3938 0.2043 1
Mn1_3 Mn 0.2957 0.4598 0.8938 1
Rh1_1 Rh 0.0612 0.9388 0.4388 1
Ge1_1 Ge 0.6829 0.3171 0.8171 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
Mn1_1 0 0 0 0,0,0 0.0 ? ?
Mn1_2 0 0 0 0,0,0 0.0 ? ?
Mn1_3 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
Mn1_1 x 1 -1.11(8) 1.24(6) mxc1 mxs1
Mn1_1 y 1 -1.05(12) -0.08(11) myc1 mys1
Mn1_1 z 1 0.960(2) 1.32(6) mzc1 mzs1
Mn1_2 x 1 -1.29(9) -1.20(7) mxc1 mxs1
Mn1_2 y 1 0.73(17) -1.17(11) myc1 mys1
Mn1_2 z 1 -1.04(17) 0.67(19) mzc1 mzs1
Mn1_3 x 1 1.32(8) -1.20(8) mxc1 mxs1
Mn1_3 y 1 1.07(12) 0.90(10) myc1 mys1
Mn1_3 z 1 0.63(13) 1.00(12) mzc1 mzs1

