#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 02/18/2023

data_5yOhtAoR
_audit_creation_date            2023-02-18
_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                    "Ho1 Sb1 Te1"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "Inorg. Chem."
_citation_journal_volume        61
_citation_page_first            11399
_citation_page_last             11409
_citation_article_id            .
_citation_year                  2022
_citation_DOI                   10.1021/acs.inorgchem.2c01711

loop_
_citation_author_name
"I. Plokhikh"
"V. Pomjakushin"
"D. J. Gawryluk"
"O. Zaharko"
"E. Pomjakushina"

_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     3
_experiment_temperature     2.5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mX1 4 2 special primary 1 .

_exptl_crystal_magnetic_properties_details
;
NPD
Below 1.7K this is the only phase observed. At the temperature of this reported model (2.5K) it coexists with anothe phase with k=(1/2,0,1/4)
The model in the mcif file of the supplemental material is in a different setting and slightly differs from the model given in Table S1 and Table 2 of the article. The structure here is the one reported in these tables.
;

_active_magnetic_irreps_details
;
1k magnetic structure
2-dim small irrep along a special direction
The irrep has two k-vectors in its star. Possible 2k-structures with the two k-vectors of the irrep star are not considered.
;

_parent_space_group.name_H-M_alt  'P 4/n m m'
_parent_space_group.IT_number                       129
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [1/2 0 0]

_parent_space_group.child_transform_Pp_abc  '2a,b,c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  'a,b,c;0,0,0'


_space_group_magn.number_BNS   11.55
_space_group_magn.name_BNS    "P_a 2_1/m"
_space_group_magn.point_group_name  "2/m1'"
_space_group_magn.point_group_number  5.2.13
_cell_length_a                 8.4376(1)
_cell_length_b                 4.2188(1)
_cell_length_c                 9.1305(1)
_cell_angle_alpha              90
_cell_angle_beta               90
_cell_angle_gamma              90

loop_
_space_group_symop_magn_operation.id
_space_group_symop_magn_operation.xyz
1 x,y,z,+1 
2 -x,y+1/2,-z,+1 
3 -x,-y,-z,+1 
4 x,-y+1/2,z,+1 

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1 
2 x+1/2,y,z,-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 0.875 0.25 0.2754 1
Sb1 Sb 0.125 0.25 0  1
Te2 Te 0.875 0.25 0.6220 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 4.985(8) 0.0 0,my,0 4.985(8) ? ?

