#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/30/2017 16:46:47
# Database entry: 1.1.42 YbCo2Si2
# Cif-like file for the case 1.1.42


data_5yOhtAoR
_audit_creation_date            2017-11-30
_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                    'Yb Co2 Si2'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        94
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            045116
_citation_year                  2016
_citation_DOI                   10.1103/PhysRevB.94.045116

loop_
_citation_author_name
"N. Mufti"
"K. Kaneko"
"A. Hoser"
"M. Gutmann"
"C. Geibel"
"C. Krellner"
"O. Stockert"




_atomic_positions_source_database_code_ICSD   625132
_atomic_positions_source_other               .

_transition_temperature     1.4
_experiment_temperature     1.1

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mD2 8 1 . primary 2 .

_exptl_crystal_magnetic_properties_details
;
NPD
position structure from room temperature measurement icsd 625132
propagation vector used has been changed here to one equivalent to the one reported (1/4,0.086,1), with the component along c cancelled.
;

_active_magnetic_irreps_details
;
small irrep active is 1-dim
2 twin domains with the same propagation vector
A spiral spin arrangement is reported to fit equally well the data. However, in this case a spiral arrangement would not be compatible with a single irrep spin mode arrangement.
The spin arrangement depicted in the reference corresponds to a mirror related twin of the one represented here, with a choice of the arbitrary global modulation phase, that represents a shift of 0.125 (in 2pi units) of the phase origin with respect to the one defined here by the MSSG setting.
;

_parent_space_group.name_H-M_alt              'I 4/m m m'
_parent_space_group.IT_number             139
_parent_space_group.transform_Pp_abc    ''

_cell_modulation_dimension               1

loop_
_cell_wave_vector_seq_id
_cell_wave_vector_x
_cell_wave_vector_y
_cell_wave_vector_z
1 -0.750000 0.086000 0.000000


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

_space_group.magn_ssg_name  "I112/m1'(\a\b0)000ss"
_space_group.magn_point_group_name  "2/m1'"
_space_group.magn_point_group_number  "5.2.13"
_cell_length_a                 3.8533(7)
_cell_length_b                 3.8533(7)
_cell_length_c                 9.6777(16)
_cell_angle_alpha              90
_cell_angle_beta               90
_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,-x4+1/2,+1
3 -x1,-x2,-x3,-x4,+1
4 x1,x2,-x3,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+1/2,x4,+1
3 x1,x2,x3,x4+1/2,-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
Yb1 Yb 0 0 0 0.5
Co1 Co 0 0.5 0.25 0.5
Si1 Si 0 0 0.38 0.5


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 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
Yb1 x 1 0.41 0 mxc1 0
Yb1 y 1 1.12 0 myc1 0
Yb1 z 1 0 0 0 0


