#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 03/05/2020 18:16:56

data_5yOhtAoR
_audit_creation_date            2020-03-05
_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                    "Fe1 Ge2 Na1 O6"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        98
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            094416
_citation_year                  2018
_citation_DOI                   10.1103/PhysRevB.98.094416

loop_
_citation_author_name
"L. Ding"
"P. Manuel"
"D.D. Khalyavin"
"F. Orlandi"
"A.A. Tsirlin"




_atomic_positions_source_database_code_ICSD   180309
_atomic_positions_source_other                .

_transition_temperature     13
_experiment_temperature     12.2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mB1 2 1 general primary 3 .

_exptl_crystal_magnetic_properties_details
;
NPD
Phase called ICM2, observed between 13K and 11.6K. Below 11.6, another incommensurate phase with lower polar symmetry exists.
Positional structure retrieved from an icsd entry (180309) for the structure at 15K
;

_active_magnetic_irreps_details
;
1k incommensurate magnetic structure
k-maximal symmetry (2 possible)
2-dim irrep primary. The order parameter is two dimensional (amplitude and phase). Its arbitrary phase is chosen here such that the inversion center operation of its magnetic superspace group does not include any phase shift.
;

_parent_space_group.name_H-M_alt  "C 2/c"
_parent_space_group.IT_number             15
_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 -0.6999(8) 0.000000 0.0649(2)


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

_space_group.magn_ssg_name  "C2/c1'(a0g)00s"
_space_group.magn_point_group_name  "2/m1'"
_space_group.magn_point_group_number  "5.2.13"
_cell_length_a                 9.9932
_cell_length_b                 8.9192
_cell_length_c                 5.5145
_cell_angle_alpha              90
_cell_angle_beta               107.5520
_cell_angle_gamma              90

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

loop_
_space_group_symop_magn_ssg_centering.id
_space_group_symop_magn_ssg_centering.algebraic
1 x1,x2,x3,x4,+1
2 x1+1/2,x2+1/2,x3,x4,+1
3 x1,x2,x3,x4+1/2,-1
4 x1+1/2,x2+1/2,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
Na1 Na 0 0.3000 0.25 1
Fe1 Fe 0 0.90380 0.25 1
Ge1 Ge 0.2881 0.09380 0.2296 1
O1 O 0.1053 0.0803 0.1304 1
O2 O 0.3569 0.27170 0.2997 1
O3 O 0.3615 0.0070 0.0149 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
Fe1 0 0 0 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 1.55(2) 0 mxs1
Fe1 y 1 0 0 myc1 0
Fe1 z 1 0 0 0 mzs1


