#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 05/12/2021 

data_5yOhtAoR
_audit_creation_date            2021-05-12
_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            134412
_citation_year                  2021
_citation_DOI                   10.1103/PhysRevB.103.134412

loop_
_citation_author_name
"S. Biesenkamp"
"D. Gorkov"
"D. Bruning"
"A. Bertin"
"T. Frohlich"
"X. Fabreges"
"A. Gukasov"
"M. Meven"
"P. Becker"
"L. Bohaty"
"T. Lorenz"
"M. Braden"

_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature     22.2
_experiment_temperature     20

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mB2 2  1  general  primary 3  .

_exptl_crystal_magnetic_properties_details
;
NSD
Position structure from a determination at 37K
Propagation vector components only approximate
Below 19K another incommensurate phase with lower polar symmetry exists (see #1.1.129)
;

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

_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 0.89 0.00000 0.32


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

_space_group.magn_ssg_name  "C2/c1'(a,0,g)0ss"
_space_group.magn_point_group_name  "2/m1'"
_space_group.magn_point_group_number  5.2.13
_cell_length_a                 9.26480
_cell_length_b                 11.38580
_cell_length_c                 4.89180
_cell_angle_alpha              90.00000
_cell_angle_beta               90.40000
_cell_angle_gamma              90.00000

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+1/2,+1
3 -x1,-x2,-x3,-x4,+1
4 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,x2,x3,x4+1/2,-1
3 x1+1/2,x2+1/2,x3,x4,+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
Fe1 Fe 0.00000 0.33474 0.25000 1
W1 W 0.74703 0.59137 0.24675 1
Li1 Li 0.00000 0.84600 0.25000 1
O1 O 0.86380 0.55980 -0.07550 1
O2 O 0.88010 0.68220 0.41150 1
O3 O 0.35620 0.54970 -0.05630 1
O4 O 0.37750 0.69510 0.39330 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 0.00000 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 2.62(14) 0.00000 mxc1 0
Fe1 y 1 0.00000  0.00000 0    mys1
Fe1 z 1 2.26(18) 0.00000 mzc1 0

