#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 09/12/2023
# From a file provided by V. Pomjakushin

data_5yOhtAoR
_audit_creation_date            2023-09-12
_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                    "Mn1 Ge1"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "Physical Review B"
_citation_journal_volume        107
_citation_page_first            .
_citation_page_last             .
_citation_article_id            024410
_citation_year                  2023
_citation_DOI                   10.1103/PhysRevB.107.024410

loop_
_citation_author_name
"V. Pomjakushin"
"I. Plokhikh"
"J.S. White"
"Y. Fujishiro"
"N. Kanazawa"
"Y. Tokura"
"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     170K
_experiment_temperature     2K 

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mDT2 6 1 special primary 12 .

_exptl_crystal_magnetic_properties_details
;
NPD
A difference curve 2K-300K was used
;

_active_magnetic_irreps_details
;
2k incommensurate magnetic structure
The star of the active irrep has 6 vectors. This is the model of maximal symmetry considering a 2k arrangement involving 4 arms of the irrep star.
1k and 3k models for the same irrep were also refined as possible alternative models (see corresponding entries)
An observed small orthorhombic distortion in the space group P2_12_12_1 of the nuclear structure, with respect to the parent cubic structure is disregarded and not included in this model.
;

_parent_space_group.name_H-M_alt  'P 2_1 3'
_parent_space_group.IT_number             198
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

_cell_modulation_dimension               2

loop_
_cell_wave_vector_seq_id
_cell_wave_vector_x
_cell_wave_vector_y
_cell_wave_vector_z
1 0.00000 0.16498 0.00000
2 0.16498 0.00000 0.00000


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

_space_group.magn_ssg_name  "P2_12_12_1.1'(0,b,0)000s(0,0,g)000s"
_space_group.magn_point_group_name  "222.1'"
_space_group.magn_point_group_number  6.2.18
_cell_length_a                 4.78049
_cell_length_b                 4.78049
_cell_length_c                 4.78049
_cell_angle_alpha              90.0000
_cell_angle_beta               90.0000
_cell_angle_gamma              90.0000

loop_
_space_group_symop_magn_ssg_operation.id
_space_group_symop_magn_ssg_operation.algebraic
1 x1,x2,x3,x4,x5,+1
2 -x1+1/2,-x2,x3+1/2,-x4+1/2,-x5,+1
3 -x1,x2+1/2,-x3+1/2,x4+1/2,-x5+1/2,+1
4 x1+1/2,-x2+1/2,-x3,-x4,x5+1/2,+1

loop_
_space_group_symop_magn_ssg_centering.id
_space_group_symop_magn_ssg_centering.algebraic
1 x1,x2,x3,x4,x5,+1
2 x1,x2,x3,x4+1/2,x5+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
Ge1 Ge 0.1567 0.1567 0.1567 1
Mn1_1 Mn 0.8616 0.8616 0.8616 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
Mn1_1 0.00000 0.00000 0.00000 0,0,0 0.0 ? ?

loop_
_atom_site_Fourier_wave_vector.seq_id
_atom_site_Fourier_wave_vector.q1_coeff
_atom_site_Fourier_wave_vector.q2_coeff
1 1 0
2 0 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
Mn1_1 x 1 1.28300 0.00000 Mxc1 Mxs1
Mn1_1 y 1 0.00000 0.00000 Myc1 Mys1
Mn1_1 z 1 0.00000 -1.28300 Mzc1 Mzs1
Mn1_1 x 2 0.00000 0.00000 Mxc2 Mxs2
Mn1_1 y 2 0.00000 -1.28300 Myc2 Mys2
Mn1_1 z 2 1.28300 0.00000 Mzc2 Mzs2

