#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 21/05/2020


data_5yOhtAoR
_audit_creation_date            2020-05-21
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Phys. Rev. B"
_citation_journal_volume        98
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            125142
_citation_year                  2018
_citation_DOI                   10.1103/PhysRevB.98.125142

loop_
_citation_author_name
"D.G. Porter"
"V. Granata"
"F. Forte"
"S.D. Matteo"
"M. Cuoco"
"R. Fittipaldi"
"A. Vecchione"
"A. Bombardi"



_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature  110
_experiment_temperature  10

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM1+  1  1  .  primary  3  .

_exptl_crystal_magnetic_properties_details
;
Resonant X-ray Diffraction @ Ru L3 absorption edge, I16 Diamond Light Source
Position structure from a determination at 90K
The absolute magnetic moment is unknown and so the moment scale is arbitrary.
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
;

_parent_space_group.name_H-M_alt  'P b c a'
_parent_space_group.IT_number                       61
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [0 0 0]

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



_space_group_magn.number_BNS  61.433
_space_group_magn.name_BNS  "P b c a"
_cell_length_a             5.38310
_cell_length_b             5.63180
_cell_length_c             11.72880
_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+1/2,-y+1/2,-z,+1
3 -x,y+1/2,-z+1/2,+1
4 -x+1/2,-y,z+1/2,+1
5 -x,-y,-z,+1
6 -x+1/2,y+1/2,z,+1
7 x,-y+1/2,z+1/2,+1
8 x+1/2,y,-z+1/2,+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
Ca1 Ca 0.00309 0.05929 0.35245
Ru1 Ru 0.00000 0.00000 0.00000
O1 O 0.19400 0.30160 0.02773
O2 O 0.93040 0.97800 0.16449

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 1.00000 0.10000 mx,my,mz


