#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 04/18/2021

data_5yOhtAoR
_audit_creation_date            2021-04-18
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        103
_citation_page_first            .
_citation_page_last             .
_citation_article_id            014443
_citation_year                  2021
_citation_DOI                   10.1103/PhysRevB.103.014443

loop_
_citation_author_name
"S. K. Karna"
"D. Tristant"
"J. K. Hebert"
"G. Cao"
"R. Chapai"
"W. A. Phelan"
"Q. Zhang"
"Y. Wu"
"C. Dhital"
"Y. Li"
"H. B. Cao"
"W. Tian" 
"C. R. de la Cruz"
"A. A. Aczel"
"O. Zaharko"
"A. Khasanov"
"M. A. McGuire"
"A. Roy"
"W. Xie"
"D. A. Browne"
"I. Vekhter"
"V. Meunier"
"W. A. Shelton"
"P. W. Adams"
"P. T. Sprunger"
"D. P. Young"
"R. Jin"
"J. F. DiTusa"

_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_temperature_position_structure         285
_temperature_atom_positions             .              
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_transition_temperature     36
_experiment_temperature     4

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mDT3 4 2 special primary 3 .

_exptl_crystal_magnetic_properties_details
;
NSD and NPD
Position structure from a determination at 285K
;

_active_magnetic_irreps_details
;
1k incommensurate magnetic structure
k-maximal magnetic symmetry
4-dim irrep along a special direction as primary
;

_parent_space_group.name_H-M_alt  "P -6 2 m"
_parent_space_group.IT_number             189
_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 0.00000 0.00000 0.193


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

_space_group.magn_ssg_name  "P3211'(0,0,g)-t00s"
_space_group.magn_point_group_name  "321'"
_space_group.magn_point_group_number  18.2.66
_cell_length_a                 6.54290
_cell_length_b                 6.54290
_cell_length_c                 3.89150
_cell_angle_alpha              90.00000
_cell_angle_beta               90.00000
_cell_angle_gamma              120.00000

loop_
_space_group_symop_magn_ssg_operation.id
_space_group_symop_magn_ssg_operation.algebraic
1 x1,x2,x3,x4,+1
2 -x2,x1-x2,x3,x4+1/3,+1
3 -x1+x2,-x1,x3,x4+2/3,+1
4 x2,x1,-x3,-x4+1/3,+1
5 -x1,-x1+x2,-x3,-x4+2/3,+1
6 x1-x2,-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

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Fe1 Fe 0.76980 0.76980 0.00000 0.99700
Sc1 Sc 0.41960 0.41960 0.50000 1.00000
Ge1 Ge 0.00000 0.00000 0.50000 1.00200
Ge2 Ge 0.66667 0.33333 0.00000 0.99600


loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
Fe1 0.00000 0.00000 0.00000 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
Fe1 x 1 0.53 0.306   mxc1 0.57735*mxc1+1.15470*myc1
Fe1 y 1 0.0  0.612   myc1 1.15470*mxc1+0.57735*myc1
Fe1 z 1 0.0  0.0     mzc1 0.57735*mzc1

