#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 02/02/2020

data_5yOhtAoR
_audit_creation_date            2020-02-02
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Phys. Rev. B"
_citation_journal_volume        100
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            241115(R)
_citation_year                  2019
_citation_DOI                   10.1103/PhysRevB.100.241115

loop_
_citation_author_name
"S. Gao"
"M. Hirschberger"
"O. Zaharko"
"T. Nakajima"
"T. Kurumaji"
"A. Kikkawa"
"J. Shiogai"
"A. Tsukazaki"
"S. Kimura"
"S. Awaji"
"Y. Taguchi"
"T.-h. Arima"
"Y. Tokura"





_atomic_positions_source_database_code_ICSD  252218
_atomic_positions_source_other               .

_transition_temperature  7
_experiment_temperature  2.2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mK5  4  2  special  primary  2  .
mK6  4  2  special  primary  4  .
mK3  2  1  special  secondary 2 no
mK4  2  1  special  secondary 1 no
MGM2+ 1  1  . secondary 1  yes
mGM4+ 1  1  . secondary 1  yes
mGM5+ 2  2  special secondary 1 no
mGM6+ 2  2  special secondary 2 no

_exptl_crystal_magnetic_properties_details
;
NSD
Positional parameters and unit cell are taken here from a room temperature model in the ICSD
Phase under magnetic field larger than 0.6T and smaller than 1.2T
Above 1.2T another phase is reported (see #2.32).
The refinement was done within a (1/3,1/3,0) dataset, but the spin arrangement includes a k=0 component forced by the constraints of the model.
;

_active_magnetic_irreps_details
;
1k magnetic structure
Four different irreps are present in the spin arrangement, two with propagation vector (1/3,1/3,0),both primary, and two with k=0 as secondary, corresponding to a third harmonic.
The original reference assigns C2' as the MSG of the structures, the structure is however centrosymmetric and the correct MSG C2'/m' is used here.
;

_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 [1/3 1/3 0]

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



_space_group_magn.number_BNS  12.62
_space_group_magn.name_BNS  "C 2'/m'"
_cell_length_a             26.22120
_cell_length_b             26.22120
_cell_length_c             9.49820
_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
3 y,x,-z,-1
4 -y,-x,z,-1

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

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Dy1_1 Dy 0.06419 0.12838 0.25000
Dy1_2 Dy  0.06419 0.93581 0.25000
Dy1_3 Dy  0.06419 0.46171 0.25000
Dy1_4 Dy  0.87163 0.26915 0.25000
Dy1_5 Dy  0.06419 0.26915 0.25000
Ru1_1 Ru 0.00000 0.00000 0.00000
Ru1_2 Ru  0.00000 0.00000 0.50000
Ru1_3 Ru  0.00000 0.33333 0.00000
Ru1_4 Ru  0.00000 0.33333 0.50000
Ru2_1 Ru 0.16667 0.00000 0.00000
Ru2_2 Ru  0.16667 0.16667 0.00000
Ru2_3 Ru  0.16667 0.00000 0.50000
Ru2_4 Ru  0.16667 0.16667 0.50000
Ru2_5 Ru  0.16667 0.33333 0.00000
Ru2_6 Ru  0.16667 0.33333 0.50000
Ru2_7 Ru  0.16667 0.83333 0.00000
Ru2_8 Ru  0.16667 0.83333 0.50000
Al1_1 Al 0.18711 0.37422 0.25000
Al1_2 Al  0.18711 0.81289 0.25000
Al1_3 Al  0.18711 0.70755 0.25000
Al1_4 Al  0.62578 0.14622 0.25000
Al1_5 Al  0.18711 0.14622 0.25000
Al2_1 Al 0.72082 0.44164 0.92376
Al2_2 Al  0.72082 0.27918 0.92376
Al2_3 Al  0.27918 0.55836 0.42376
Al2_4 Al  0.27918 0.72082 0.42376
Al2_5 Al  0.72082 0.77497 0.92376
Al2_6 Al  0.55836 0.61251 0.92376
Al2_7 Al  0.72082 0.61251 0.92376
Al2_8 Al  0.27918 0.89169 0.42376
Al2_9 Al  0.44164 0.05415 0.42376
Al2_10 Al  0.27918 0.05415 0.42376
Al3_1 Al 0.11111 0.22222 0.48480
Al3_2 Al  0.22222 0.11111 0.98480
Al3_3 Al  0.11111 0.88889 0.48480
Al3_4 Al  0.22222 0.77778 0.98480
Al4_1 Al 0.00000 0.00000 0.25000
Al4_2 Al  0.00000 0.33333 0.25000

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
Dy1_1 2.52 5.04 8.21 mx,my,mz
Dy1_2 -2.520 2.52 -8.21 mx,-mx,mz
Dy1_3 2.52 5.04 8.21 mx,my,mz
Dy1_4 5.04 2.52 -8.21 mx,my,mz
Dy1_5 2.52 -2.52 8.21 mx,my,mz

