#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 03/26/2021 

data_5yOhtAoR
_audit_creation_date            2021-03-26
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Journal of Alloys and Compounds"
_citation_journal_volume        224
_citation_page_first            253
_citation_page_last             261
_citation_article_id            .
_citation_year                  1995
_citation_DOI                   10.1016/0925-8388(95)01545-0

loop_
_citation_author_name
"G. Andre"
"P. Bonville"
" F. Bouree"
"A. Bombik"
"M. Kolenda"
"A. Oles"
"A. Pacyna"
"W. Sikora"
"A. Szytula"

_atomic_positions_source_database_code_ICSD  79940
_atomic_positions_source_other               .

_temperature_position_structure         4
_temperature_atom_positions             .              
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_transition_temperature     2.3
_experiment_temperature     1.43

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mLD5 4 2 special primary 1 .

_exptl_crystal_magnetic_properties_details
;
NPD
Position structure from a determination at 4K
Spiral structure
;

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

_parent_space_group.name_H-M_alt  "I 4/m m m"
_parent_space_group.IT_number             139
_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 0.8025


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

_space_group.magn_ssg_name  "I4221'(0,0,g)q00s"
_space_group.magn_point_group_name  "4221'"
_space_group.magn_point_group_number  12.2.41
_cell_length_a                 3.91320
_cell_length_b                 3.91320
_cell_length_c                 9.51800
_cell_angle_alpha              90.00000
_cell_angle_beta               90.00000
_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,-x4,+1
3 -x1,x2,-x3,-x4+1/2,+1
4 -x1,-x2,x3,x4+1/2,+1
5 -x2,-x1,-x3,-x4+3/4,+1
6 -x2,x1,x3,x4+1/4,+1
7 x2,-x1,x3,x4+3/4,+1
8 x2,x1,-x3,-x4+1/4,+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+1/2,x4,+1
4 x1+1/2,x2+1/2,x3+1/2,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
Ni1 Ni 0.00000 0.50000 0.25000 1
Si1 Si 0.00000 0.00000 0.37500 1
Yb1 Y 0.00000 0.00000 0.00000 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
Yb1 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
Yb1 x 1 1.8 0.00000      Mxc1 0
Yb1 y 1 0.00000 1.8      0 Mxc1 
Yb1 z 1 0.00000 0.00000  0 0

