#\#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                    "Nd8 Sb8 Te8"
_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         5
_temperature_atom_positions             .
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature     3.1
_experiment_temperature     1.8

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mW2W4 8 4 general primary 8 .

_exptl_crystal_magnetic_properties_details
;
NPD, HRPT PSI 2.45A
Positional structure from 5K data
Lower symmetry solution allowing a constant moment structure
Refinements with MSGs of higher symmetry for the same active irrep did not result in constant magnitude for all the Nd moments 
;

_active_magnetic_irreps_details
;
1k magnetic structure
4-dim small irrep along a general direction
The active irrep has two pairs of (k,-k) wave vectors. It seems that 2k models, which could also fit the data were not explored.
;

_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]

_parent_space_group.child_transform_Pp_abc  'b+2c,-a,-2b;3/4,1/4,0'
_space_group_magn.transform_BNS_Pp_abc  'a,b,c;0,0,0'


_space_group_magn.number_BNS  7.28
_space_group_magn.name_BNS  'P_c c'
_space_group_magn.point_group_name  "m.1'"
_space_group_magn.point_group_number  "4.2.10"
_cell_length_a                 19.2813(15)
_cell_length_b                 4.3053(2)
_cell_length_c                 8.6106(5)
_cell_angle_alpha              90
_cell_angle_beta               102.902(14)
_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,z+1/2,+1 

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1 
2 x,y,z+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
Nd1_1 Nd 0.86174 0 0.68087 1
Nd1_2 Nd 0.36174 0 -0.06913 1
Nd1_3 Nd 0.13826 0.5 0.06913 1
Nd1_4 Nd 0.63826 0.5 0.31913 1
Sb1_1 Sb 0 0 0 1
Sb1_2 Sb 0.5 0 0.25 1
Sb1_3 Sb 0 0.5 0.75 1
Sb1_4 Sb 0.5 0.5 0 1
Te1_1 Te 0.18712 0 0.84356 1
Te1_2 Te 0.68712 0 0.09356 1
Te1_3 Te 0.81288 0.5 -0.09356 1
Te1_4 Te 0.31288 0.5 0.15644 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
Nd1_1 0.4(3) 0.0 1.73(2) mx,0,mz 1.7(3) ? ?
Nd1_2 -0.67(9) 0.0 1.41(6) mx,0,mz 1.7(1) ? ?
Nd1_3 0.78(8) 0.0 -1.33(6) mx,0,mz 1.7(1) ? ?
Nd1_4 0.28(16) 0.0 1.73(3) mx,0,mz 1.7(2) ? ?

