#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 14/01/2019

data_5yOhtAoR
_audit_creation_date            2019-01-14
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        72
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            054412
_citation_year                  2005
_citation_DOI                   10.1103/PhysRevB.72.054412

loop_
_citation_author_name
"Y. Yoshida"
"S.-I. Ikeda"
"H. Matsuhata"
"N. Shirakawa"
"C.H. Lee"
"S. Katano"





_atomic_positions_source_database_code_ICSD  153776
_atomic_positions_source_other               .

_transition_temperature  56
_experiment_temperature  8

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mY2  1  1  .  primary  1  .

_exptl_crystal_magnetic_properties_details
;
NPD
The model results from the fit of a single observed magnetic reflection.
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (4 possible)
1-dim irrep active
The irrep label corresponds to the standard setting of the parent space group (Cmc2_1), where the propagation vector is (0,0,1)
;

_parent_space_group.name_H-M_alt  'B b 2_1 m'
_parent_space_group.IT_number                       36
_parent_space_group.transform_Pp_abc  '-c,-a,b;0,0,0'

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

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



_space_group_magn.number_BNS  33.154
_space_group_magn.name_BNS  "P_C n a 2_1"
_cell_length_a             5.36770
_cell_length_b             5.53560
_cell_length_c             19.52120
_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,y+1/2,-z,+1
3 -x+1/2,y+1/2,z+1/2,+1
4 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
2 x+1/2,y,z+1/2,-1

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ru1 Ru 0.25330 0.75120 0.40110
Ca1 Ca 0.73820 0.19490 0.00000
Ca2 Ca 0.24430 0.30360 0.31120
O1 O 0.81880 0.23090 0.69870
O2 O 0.83700 0.77020 0.00000
O3 O 0.44740 0.95000 0.08190
O4 O 0.94810 0.04580 0.11620

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 1.59(7) 0.00000 mx,my,mz
