#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/11/2024
# From a file provided by M. Henriques

data_5yOhtAoR
_audit_creation_date            2024-11-11
_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                    "Co1 Ho3"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        109
_citation_page_first            .
_citation_page_last             .
_citation_article_id            214417
_citation_year                  2024
_citation_DOI                   10.1103/PhysRevB.109.214417

loop_
_citation_author_name
"S. Goswami"
"M. I. Sousa Henriques"
"V. Petricek"
"P. D. Babu"

_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    21
_experiment_temperature    18

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mSM4 2 1 general primary 14 .
mGM4 1 1 . primary 7 .

_exptl_crystal_magnetic_properties_details
;
NPD
;

_active_magnetic_irreps_details
;
1k incommemsurate magnetic structure
k-maximal symmetry
Two irreps as primary irreps: one incommensurate 2-dim (k,-k) and one at k=0
The arbitrary global phase of the modulation is fixed by the choice of origin along x4 in the MSSG operations.
;

_parent_space_group.name_H-M_alt  "P n m a"
_parent_space_group.IT_number             62
_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 0.158580 0.000000 0.000000


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

_space_group.magn_ssg_name  "Pnm'a(a00)000"
_space_group.magn_point_group_name  "mmm.1'"
_space_group.magn_point_group_number  8.2.25
_cell_length_a                 6.9383(11)
_cell_length_b                 9.2451(15)
_cell_length_c                 6.2327(10)
_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+1/2,-1
3 -x1,x2+1/2,-x3,-x4+1/2,+1
4 x1+1/2,-x2+1/2,-x3+1/2,x4,-1
5 -x1,-x2,-x3,-x4+1/2,-1
6 x1+1/2,x2,-x3+1/2,x4,+1
7 x1,-x2+1/2,x3,x4,-1
8 -x1+1/2,x2+1/2,x3+1/2,-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

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 0.0243(11) 0.25 0.1433(14) 2
Ho2 Ho 0.1678(7) 0.0614(6) 0.6749(9) 2
Co Co 0.237(3) 0.25 1.055(4) 2


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 -1.81(8) 0 2.78(8) mx,0,mz 3.32 ? ?
Ho2 1.51(7) 1.78(4) 1.39(7) mx,my,mz 2.72 ? ?
Co 0.24(11) 0 0.22(7) mx,0,mz 0.33 ? ?

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 -1.6(2) -1.4(3) mxc1 mxs1
Ho1 y 1 0 0 0 0
Ho1 z 1 -3.73(16) 0.8(2) mzc1 mzs1
Ho2 x 1 0.48(13) -0.65(14) mxc1 mxs1
Ho2 y 1 1.07(16) -0.83(18) myc1 mys1
Ho2 z 1 -2.02(12) -0.11(15) mzc1 mzs1
Co x 1 -1.0(2) -1.1(2) mxc1 mxs1
Co y 1 0 0 0 0
Co z 1 -1.02(19) 0.0(2) mzc1 mzs1

