#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 13/03/2020


data_5yOhtAoR
_audit_creation_date            2020-03-13
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        95
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            054413
_citation_year                  2017
_citation_DOI                   10.1103/PhysRevB.95.054413

loop_
_citation_author_name
"M. Zhu"
"K.V. Shanavas"
"Y. Wang"
"T. Zou"
"W.F. Sun"
"W. Tian"
"V.O. Garlea"
"A. Podlesnyak"
"M. Matsuda"
"M.B. Stone"
"D. Keavney"
"Z.Q. Mao"
"D.J. Singh"
"X. Ke"



_atomic_positions_source_database_code_ICSD  188554
_atomic_positions_source_other               .

_transition_temperature  64
_experiment_temperature  4

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mDT2  4  1  special  primary  1  .

_exptl_crystal_magnetic_properties_details
;
NSD
Positional structure here from a room temperature model taken from the icsd, which does not include the Fe substitution.
This magnetic structure cannot be distinguished from another one of maximal symmetry, where half of the Ru sites have zero moments (see #1.319) (The diffraction data cannot determine the phase of the spin wave)
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (6 possible)
2-dim irrep within the k and -k subspace along a special direction (special phase of the spin wave) as primary.
;

_parent_space_group.name_H-M_alt  'I 4/m m m'
_parent_space_group.IT_number                       139
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [1/4 1/4 0]

_parent_space_group.child_transform_Pp_abc  '4a,4b,c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  'c,1/4a-1/4b,1/2a+1/2b;1/8,0,0'



_space_group_magn.number_BNS  64.478
_space_group_magn.name_BNS  "C_c m c a"
_cell_length_a             15.50040
_cell_length_b             15.50040
_cell_length_c             12.72780
_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 -x+1/4,-y,z,+1
3 -y+3/8,-x+3/8,-z+1/2,+1
4 y+3/8,x+1/8,-z+1/2,+1
5 -x+1/4,-y,-z,+1
6 x,y,-z,+1
7 y+3/8,x+1/8,z+1/2,+1
8 -y+3/8,-x+3/8,z+1/2,+1

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1
2 x+1/8,y+7/8,z+1/2,+1
3 x+1/4,y+3/4,z,+1
4 x+3/8,y+5/8,z+1/2,+1
5 x+1/2,y+1/2,z,+1
6 x+5/8,y+3/8,z+1/2,+1
7 x+3/4,y+1/4,z,+1
8 x+7/8,y+1/8,z+1/2,+1
9 x+1/8,y+3/8,z+1/2,-1
10 x+1/4,y+1/4,z,-1
11 x+3/8,y+1/8,z+1/2,-1
12 x+1/2,y,z,-1
13 x+5/8,y+7/8,z+1/2,-1
14 x+3/4,y+3/4,z,-1
15 x+7/8,y+5/8,z+1/2,-1
16 x,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
Sr1 Sr 0.00000 0.00000 0.35830
Ru1 Ru 0.00000 0.00000 0.00000
O1_1 O 0.00000 0.12500 0.00000
O1_2 O  0.00000 0.37500 0.00000
O2 O 0.00000 0.00000 0.17220

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 0.00000 0.00000 0.28 0,0,mz


