#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 18/09/2018 15:25:12


data_5yOhtAoR
_audit_creation_date            2018-09-18
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Phys. Rev. B"
_citation_journal_volume        93
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            134423
_citation_year                  2016
_citation_DOI                   10.1103/PhysRevB.93.134423

loop_
_citation_author_name
"H.B. Cao"
"A. Banerjee"
"J.-Q. Yan"
"C.A. Bridges"
"M.D. Lumsden"
"D.G. Mandrus"
"D.A. Tennant"
"B.C. Chakoumakos"
"S.E. Nagler"




_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature  7
_experiment_temperature  4.2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mB1  2  1  special  primary  3  .
mY1+ 1  1  .        secondary 1  no

_exptl_crystal_magnetic_properties_details
;
NSD
Alpha-phase
Moment modulus: 0.52, angle with respect to the xy plane 35 degrees. The refinement gave equal results for a spin orientation with the angle -35 degrees.
The refinement cannot determine the phase of the modulation. The phase chosen in the reference corresponds to a maximal symmetry
A refinement with a spiral model, also with undetermined phase, could also fit the data with slightly worse values.
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (4 possible)
2-dim irrep active, special direction
Magnetic space group symmetries mentioned in the article are inconsistent with the model reported
Symmetry allows a my component on the Ru atoms in the intermediate layer, which have zero moment on the xz plane.
;

_parent_space_group.name_H-M_alt  'C 2/m'
_parent_space_group.IT_number                       12
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

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

_parent_space_group.child_transform_Pp_abc  'a,b,3c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  'a,b,c;0,0,0'



_space_group_magn.number_BNS  10.49
_space_group_magn.name_BNS  "P_C 2/m"
_cell_length_a             5.98100
_cell_length_b             10.35400
_cell_length_c             18.04200
_cell_angle_alpha          90.00
_cell_angle_beta           108.80
_cell_angle_gamma          90.00

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

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1
2 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
Ru1_1 Ru 0.00000 0.16653 0.16667
Ru1_2 Ru  0.00000 0.16653 0.50000
Cl1_1 Cl 0.25040 0.17388 0.08873
Cl1_2 Cl  0.25040 0.17388 0.42207
Cl1_3 Cl  0.74960 0.17388 0.24460
Cl2_1 Cl 0.22730 0.00000 0.24530
Cl2_2 Cl  0.22730 0.00000 0.57863
Cl2_3 Cl  0.77270 0.00000 0.08803

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
Ru1_1 0.43 0.00000 0.3 mx,my,mz
Ru1_2 0.00000 0.00000 0.00000 0,my,0
