#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 09/19/2023
# From a file provided by I. Plokhikh

data_5yOhtAoR
_audit_creation_date            2023-09-19
_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                    "Dy1 Sb1 Te1"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "J. Magn. Magn. Mater."
_citation_journal_volume        583
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            171009
_citation_year                  2023
_citation_DOI                   10.1016/j.jmmm.2023.171009

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

_temperature_position_structure         12
_temperature_atom_positions             .
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature     6.7
_experiment_temperature     1.8

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mW1W3 8 4 special primary 2 .
mZ5- 2 2 special primary 1 .
mZ1- 1 1 . secondary 1 no
mGM5- 2 2 special secondary 1 yes
mGM1- 1 1 . secondary 1 no

_exptl_crystal_magnetic_properties_details
;
NPD, HRPT PSI 2.45A
double-wall V container to mitigate absorption
Positional structure from 12K data
Model based on the two propagation vectors coexisting below TN, assuming it is a single phase.
;

_active_magnetic_irreps_details
;
2k magnetic structure
two primary irreps and three secondary ones
The model includes a small non-zero component of the secondary irrep mGM5- with k=0, due to the non-equal magnitudes of the mz component of the twp split Dy sites.
;

_parent_space_group.name_H-M_alt  "P4/nmm"
_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
k2 [1/2 0 1/4]
k4 [0 0 1/2]

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


_space_group_magn.number_BNS  14.78
_space_group_magn.name_BNS  "P2_1/c'"
_space_group_magn.point_group_name "2/m'"
_space_group_magn.point_group_number  5.4.15
_cell_length_a                 18.8069
_cell_length_b                 4.2277
_cell_length_c                 8.4553
_cell_angle_alpha              90
_cell_angle_beta               102.9907
_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+1/2,+1 
3 -x,-y,-z,-1 
4 x,-y+1/2,z+1/2,-1 

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,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
Dy1_1 Dy -0.86182 0.25 -0.55591 1 
Dy1_2 Dy -0.36182 0.25 -0.80591 1 
Te1_1 Te -0.18774 0.25 -0.71887 1 
Te1_2 Te -0.68775 0.25 0.03113 1 
Sb1_1 Sb  0 0.75 -0.625 1 
Sb1_2 Sb -0.5 0.75 -0.875 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
Dy1_1 0.0 4.75(7) -5.95(5) 0,my,mz 7.63(9) ? ?
Dy1_2 0.0 5.30(6) 5.46(6) 0,my,mz 7.63(8) ? ?

