#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 08/03/2021 

data_5yOhtAoR
_audit_creation_date            2021-03-08
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "NATURE COMMUNICATIONS"
_citation_journal_volume        12
_citation_page_first            .
_citation_page_last             .
_citation_article_id            999
_citation_year                  2021
_citation_DOI                   10.1038/s41467-021-21154-y

loop_
_citation_author_name
"S. X. M. Riberolles"
"T. V. Trevisan"
"B. Kuthanazhi"
"T. W. Heitmann"
"F. Ye"
"D. C. Johnston"
"S. L. Budko"
"D. H. Ryan"
"P. C. Canfield"
"A. Kreyssig"
"A. Vishwanath"
"R. J. McQueeney"
"L. -L. Wang"
"P. P. Orth"
"B. G. Ueland"

_atomic_positions_source_database_code_ICSD  260109
_atomic_positions_source_other               .

_transition_temperature  16.2(1)
_experiment_temperature  6

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mDT6  4  2  special  primary  2  .
mDT3  2  1  special secondary 1  no
mGM5+ 2  2  special secondary 1  yes
mGM2+ 1  1   .       secondary 1  no

_exptl_crystal_magnetic_properties_details
;
NSD
Between 17.6(2) and 16.2(2) a different phase with hexagonal symmetry is reported.
Position structure is not given. Here the one determined at 90K in another study is used.
This phase is actually incommensurate, with k=(0,0,0.303), but the model has been obtained approximating the propagation vector to the commensurate value (0,0,1/3)
;

_active_magnetic_irreps_details
;
1k magnetic structure
4-dim irrep along a special direction as primary
Three irreps allowed as secondary, corresponding to three degrees of freedom of the moments within the MSG.
The secondary irreps corresponding to canting of the moments along c are inactive, but the irrep mGM5+ ordering represents spme moment arrangement on the basal xy plane and it is present in the proposed model, in addition to the primary mDT6 component.
The model includes in the spin arrangement a k=0 component, as a secondary induced third harmonic of the primary modulation. However, if the actual incommensurate value of the propagation vector is considered, this third harmonic would also be incommensurate with a k different from zero and a k=0 component can only be present in the real incommensurate structure as a second independent primary order parameter.
;

_parent_space_group.name_H-M_alt  'P 6_3/m m c'
_parent_space_group.IT_number                       194
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [0 0 1/3]

_parent_space_group.child_transform_Pp_abc  'a,b,3c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  'a-b,a+b,c;0,0,1/12'



_space_group_magn.number_BNS  20.33
_space_group_magn.name_BNS  "C 2' 2' 2_1"
_cell_length_a             4.20670
_cell_length_b             4.20670
_cell_length_c             53.66730
_cell_angle_alpha          90.00
_cell_angle_beta           90.00
_cell_angle_gamma          120.00

loop_
_space_group_symop_magn_operation.id
_space_group_symop_magn_operation.xyz
1 x,y,z,+1 
2 -x,-y,z+1/2,+1 
3 -y,-x,-z+1/6,-1 
4 y,x,-z+2/3,-1 

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1 

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Eu1_1 Eu 0.00000 0.00000 0.00000
Eu1_2 Eu  0.00000 0.00000 0.33333
In1_1 In 0.33333 0.66667 0.27576
In1_2 In  0.66667 0.33333 0.44243
In1_3 In  0.33333 0.66667 0.60910
As1_1 As 0.33333 0.66667 0.13084
As1_2 As  0.66667 0.33333 0.29751
As1_3 As  0.33333 0.66667 0.46418

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
_atom_site_moment.magnitude
Eu1_1 2.35000 6.69000 0.00000 mx,my,mz     5.9(2)
Eu1_2 -3.39000 3.39000 0.00000 mx,-mx,mz   5.9



