#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 02/19/2023

data_5yOhtAoR
_audit_creation_date            2023-02-19
_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                    "Ho7 Rh3"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        106
_citation_page_first            .
_citation_page_last             .
_citation_article_id            134419
_citation_year                  2022
_citation_DOI                   10.1103/PhysRevB.106.134419

loop_
_citation_author_name
"A. F. Gubkin"
"A. A. Vaulin"
"T. Tsutaoka"
"A. F. Prekul"
"K. P. Skokov"
"N. V. Baranov"

_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     32
_experiment_temperature     28

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mDT6U6 4 2 special primary 14 .
mDT4U4 2 1 general secondary 4 ?

_exptl_crystal_magnetic_properties_details
;
NPD
Structure described in a standard setting of the basic space group Cmc2_1 of the MSSG. Transformation from the P6_3mc basis of the parent structure described in the article: (-b,-2a-b,-c;0,0,1/2), with the incommensurate vector defined as (0,0,-0.389). 
Two other incommensurate phases are observed at lower temperatures.
; 

_active_magnetic_irreps_details
;
1k incommensurate structure
4-dim physically irreducible irrep along a special direction as primary
2-dim physically irreducible irrep along a special direction is symmetry allowed as secondary. The structure has been refined under the MSSG. Therefore, this secondary irrep component may be present in the model.
;

_parent_space_group.name_H-M_alt  'P6_3 m c'
_parent_space_group.IT_number             186
_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 -0.389169


_parent_space_group.child_transform_Pp_abc  '-b,-2a-b,-c;0,0,1/2'

_space_group.magn_ssg_name  "Cmc21.1'(00g)0sss"
_space_group.magn_point_group_name  "mm21'"
_space_group.magn_point_group_number  7.2.21
_cell_length_a                 9.6963
_cell_length_b                 16.7945
_cell_length_c                 6.089
_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+1/2,x4+1/2,+1
3 x1,-x2,x3+1/2,x4+1/2,+1
4 -x1,x2,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,x4,+1
4 x1+1/2,x2+1/2,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
Ho1 Ho 0.5 0.166666 -0.02101 1
Ho2_1 Ho -0.313355 0.437785 -0.3244 1
Ho2_2 Ho -0.5 -0.37557 -0.3244 1
Ho3_1 Ho 0.188695 0.270435 -0.02713 1
Ho3_2 Ho -0.5 -0.04087 -0.02713 1
Rh1_1 Rh 0.718285 0.093905 -0.26139 1
Rh1_2 Rh -0.5 0.31219 -0.26139 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
Ho1 0 0 0 0,0,0 0.0 ? ?
Ho2_1 0 0 0 0,0,0 0.0 ? ?
Ho2_2 0 0 0 0,0,0 0.0 ? ?
Ho3_1 0 0 0 0,0,0 0.0 ? ?
Ho3_2 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
Ho1 x 1 6.2(4) 0.9(8) Mxc1 Mxs1
Ho1 y 1 0 0 0 0
Ho1 z 1 0 0 0 0
Ho2_1 x 1 3.9(3) 1.9(2) Mxc1 Mxs1
Ho2_1 y 1 3.8(3) 1.8(2) Myc1 Mys1
Ho2_1 z 1 0.0 0.0 Mzc1 Mzs1
Ho2_2 x 1 5.4(2) 2.6(3) Mxc1 Mxs1
Ho2_2 y 1 0 0 0 0
Ho2_2 z 1 0 0 0 0
Ho3_1 x 1 6.0(2) 0 Mxc1 Mxs1
Ho3_1 y 1 4.4(3) 0 Myc1 Mys1
Ho3_1 z 1 0 0 Mxz1 Mxz1
Ho3_2 x 1 7.5(2) 0 Mxc1 Mxs1
Ho3_2 y 1 0 0 0 0
Ho3_2 z 1 0 0 0 0

