#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 30/03/2020

data_5yOhtAoR
_audit_creation_date            2020-03-30
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        96
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            134403
_citation_year                  2017
_citation_DOI                   10.1103/PhysRevB.96.134403

loop_
_citation_author_name
"P.D. de Reotier"
"C. Marin"
"A. Yaouanc"
"C. Ritter"
"A. Maisuradze"
"B. Roessli"
"A. Bertin"
"P.J. Baker"
"A. Amato"




_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature  1.75
_experiment_temperature  0.001

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM3+  2  2  special  primary  1  .

_exptl_crystal_magnetic_properties_details
;
NPD
Positional structure from a determination at 2.7K
Yb magnetic moment modulus: 0.62(1)
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic structure
2-dim irrep along a special direction as primary
The NPD experiment cannot distinguish between models corresponding to different directions of the order parameter (different combinations of the irrep spin basis functions). The model here corresponds to one of the special directions of higher symmetry (irrep epikernel). The other possible high symmetry MSG, for the same irrep for a different combination of the spin basis functions, is I4_1'/am'd, which allows an additional spin degree of freedom corresponding to a secondary irrep.
;

_parent_space_group.name_H-M_alt  'F d -3 m'
_parent_space_group.IT_number                       227
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [0 0 0]

_parent_space_group.child_transform_Pp_abc  'a,b,c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  '1/2a+1/2b,-1/2a+1/2b,c;1/4,0,1/4'


_space_group_magn.number_BNS  141.551
_space_group_magn.name_BNS  "I 4_1/a m d"
_cell_length_a             11.455
_cell_length_b             11.455
_cell_length_c             11.455
_cell_angle_alpha          90.00
_cell_angle_beta           90.00
_cell_angle_gamma          90.00

loop_
_space_group_symop_magn_operation.id
_space_group_symop_magn_operation.xyz
1 x,y,z,+1
2 -y,x+1/4,z+1/4,+1
3 y+1/4,-x,z+1/4,+1
4 y+1/4,x+3/4,-z+1/2,+1
5 -y,-x+1/2,-z+1/2,+1
6 -x+1/4,-y+1/4,z,+1
7 -x+3/4,y+1/2,-z+1/4,+1
8 x,-y+1/4,-z+1/4,+1
9 -x+1/2,-y,-z+1/2,+1
10 y+1/2,-x+3/4,-z+1/4,+1
11 -y+1/4,x,-z+1/4,+1
12 -y+1/4,-x+1/4,z,+1
13 y,x,z,+1
14 x+3/4,y+1/4,-z+1/2,+1
15 x+3/4,-y+1/2,z+1/4,+1
16 -x+1/2,y+3/4,z+1/4,+1

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1
2 x,y+1/2,z+1/2,+1
3 x+1/2,y,z+1/2,+1
4 x+1/2,y+1/2,z,+1

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Cd1 Cd 0.12500 0.12500 0.12500
Yb1 Yb 0.50000 0.50000 0.50000
S1 S 0.2575 0.2575 0.2575

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 0.44 -0.44 0.00000  mx,-mx,0

