#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 28/04/2021 

data_5yOhtAoR
_audit_creation_date            2021-04-28
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        102
_citation_page_first            .
_citation_page_last             .
_citation_article_id            104410
_citation_year                  2020
_citation_DOI                   10.1103/PhysRevB.102.104410

loop_
_citation_author_name
"A. J. Princep"
"H. L. Feng"
"Y. F. Guo"
"F. Lang"
"H. M. Weng"
"P. Manuel"
"D. Khalyavin"
"A. Senyshyn"
"M. C. Rahn"
"Y. H. Yuan"
"Y. Matsushita"
"S. J. Blundell"
"K. Yamaura"
"A. T. Boothroyd"

_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature  45
_experiment_temperature  1.5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mY1+  1  1  .  primary  2  .
mY2-  1  1  .  primary  2  .

_exptl_crystal_magnetic_properties_details
;
NPD
Non-standard parent setting P2_1/n
Non-centrosymmetric MSG
;

_active_magnetic_irreps_details
;
1k magnetic structure
Two irreps as primary: One for the Co ordering and another one for the Os ordering.
There is no single irrep, which allows non-zero moments for both atoms. The magnetic ordering of both atoms requires at least two irreps.
Polar on the plane ac
;

_parent_space_group.name_H-M_alt  'P 2_1/n'
_parent_space_group.IT_number                       14
_parent_space_group.transform_Pp_abc  'a,b,-a+c;0,0,0'

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

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

_space_group_magn.number_BNS  7.27
_space_group_magn.name_BNS  "P_a c"
_cell_length_a             11.27302
_cell_length_b             5.58361
_cell_length_c             15.64642
_cell_angle_alpha          90.00
_cell_angle_beta           89.815
_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+3/4,-y+1/2,z+1/4,+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 
3 x+1/2,y,z,-1 
4 x,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
Co1 Co 0.00000 0.00000 0.00000
Os1 Os 0.00000 0.00000 0.25000
Pb1_1 Pb 0.00295 0.51270 0.12520
Pb1_2 Pb  0.24705 0.01270 0.12480
O1_1 O 0.46605 0.99120 0.12960
O1_2 O  0.78395 0.49120 0.12040
O2_1 O 0.12065 0.28100 0.01810
O2_2 O  0.12935 0.78100 0.23190
O3_1 O 0.14170 0.76510 0.01825
O3_2 O  0.10830 0.26510 0.23175

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
_atom_site_moment.magnitude
Co1 -0.77000 0.00000 1.89000 mx,my,mz  2.04
Os1 -0.77000 0.00000 1.89000 mx,my,mz  2.04

