#\#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
mK2 2  1  special  primary  2  .
mGM2+ 1  1   .     primary  1  .
mGM3+ 1  1  special secondary 1  yes
mK4  2  1  special secondary 1  no

_exptl_crystal_magnetic_properties_details
;
NSD
Positional parameters and unit cell are taken here from a room temperature model from the ICSD
Phase under magnetic field larger than 1.2T
Below 0.6T another phase is reported (see #1.0.23).
;

_active_magnetic_irreps_details
;
1k magnetic structure
Two primary irreps with wavevectors (1/3,1/3,0) and (0,0,0). The k=0 irrep being the one corresponding to the field induced homogeneous magnetization. This k=0 component breaks further the symmetry and must be taken as primary, together with the mK2 arrangement on the basal plane.
The spin components on the ab basal plane include, apart from mK2, a third irrep contribution with k=0, forced by the model constraints. The refinement was done however using only a (1/3,1/3,0) dataset of reflections.
The structures is centrosymmetric with MSG P-3c'1, which 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]
k2 [0,0,0]

_parent_space_group.child_transform_Pp_abc  '3a,3b,c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  '2/3a+1/3b,-1/3a+1/3b,c;0,2/3,0'



_space_group_magn.number_BNS  165.95
_space_group_magn.name_BNS  "P -3 c' 1"
_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 -y+2/3,x-y+1/3,z,+1
3 -x+y+1/3,-x+2/3,z,+1
4 -x,-y+1/3,-z,+1
5 y+1/3,-x+y,-z,+1
6 x-y+2/3,x+2/3,-z,+1
7 x,x-y+1/3,-z+1/2,-1
8 -x+y+1/3,y,-z+1/2,-1
9 -y+2/3,-x+2/3,-z+1/2,-1
10 -x,-x+y,z+1/2,-1
11 x-y+2/3,-y+1/3,z+1/2,-1
12 y+1/3,x+2/3,z+1/2,-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 0.79504 0.25000
Ru1_1 Ru 0.00000 0.00000 0.00000
Ru1_2 Ru  0.00000 0.66667 0.00000
Ru2_1 Ru 0.16667 0.00000 0.00000
Ru2_2 Ru  0.16667 0.16667 0.00000
Al1_1 Al 0.18711 0.37422 0.25000
Al1_2 Al  0.18711 0.04089 0.25000
Al2_1 Al 0.27918 0.55836 0.07624
Al2_2 Al  0.55836 0.27918 0.92376
Al2_3 Al  0.27918 0.22503 0.07624
Al3 Al 0.11111 0.22222 0.48480
Al4_1 Al 0.00000 0.00000 0.25000
Al4_2 Al  0.00000 0.66667 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 5.0 0.00000 7.4 mx,my,mz
Dy1_2 -5.0 0.00000 7.4 mx,0,mz


