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


data_5yOhtAoR
_audit_creation_date            2018-09-25
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Phys. Rev. B"
_citation_journal_volume        97
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            235116
_citation_year                  2018
_citation_DOI                   10.1103/PhysRevB.97.235116

loop_
_citation_author_name
"J. Sheng"
"F. Ye"
"C. Hoffmann"
"V.R. Cooper"
"S. Okamoto"
"J. Terzic"
"H. Zheng"
"H. Zhao"
"G. Cao"




_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature  13.1
_experiment_temperature  5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mF1+  3  1  .  primary  6  .

_exptl_crystal_magnetic_properties_details
;
NSD
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (1 possible)
;

_parent_space_group.name_H-M_alt  'R -3'
_parent_space_group.IT_number                       148
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [0 1/2 1]

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



_space_group_magn.number_BNS  2.7
_space_group_magn.name_BNS  "P_S -1"
_cell_length_a             9.57110
_cell_length_b             19.14220
_cell_length_c             11.39330
_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 -x,-y,-z,+1

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1
2 x+1/3,y+1/3,z+2/3,+1
3 x+2/3,y+2/3,z+1/3,+1
4 x+2/3,y+1/6,z+1/3,-1
5 x,y+1/2,z,-1
6 x+1/3,y+5/6,z+2/3,-1

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ir1 Ir 0.00000 0.00000 0.00000 1.
Ir2 Ir 0.00000 0.00000 0.50000 1.
Sr1_1 Sr 0.30320 0.16675 0.08320 0.66
Sr1_2 Sr  0.66650 0.98485 0.08320 0.66
Sr1_3 Sr  0.03030 0.84840 0.08320 0.66
Ca1_1 Ca 0.30320 0.16675 0.08320 0.34
Ca1_2 Ca  0.66650 0.98485 0.08320 0.34
Ca1_3 Ca  0.03030 0.84840 0.08320 0.34
Ca2 Ca 0.00000 0.00000 0.25050 1.
O1_1 O 0.84320 0.40805 0.10500 1.
O1_2 O  0.18390 0.01355 0.10500 1.
O1_3 O  0.97290 0.57840 0.10500 1.
O2_1 O 0.36070 0.42515 0.06120 1.
O2_2 O  0.14970 0.75520 0.06120 1.
O2_3 O  0.48960 0.81965 0.06120 1.

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
Ir1 -0.33(2) -0.64(2) 0.41(5) mx,my,mz
Ir2 0.32(2) 0.63(2) -0.34(5) mx,my,mz
