#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 01/12/2020

data_5yOhtAoR
_audit_creation_date            2020-12-01
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Chem. Mater."
_citation_journal_volume        18
_citation_page_first            3898
_citation_page_last             3903
_citation_article_id            .
_citation_year                  2006
_citation_DOI                   10.1021/cm061044v

loop_
_citation_author_name
"K. Boulahya"
"M. Parras"
"J.M. Gonzalez-Calbet"
"U. Amador"
"J.L. Martinez"
"M.T. Fernandez-Diaz"



_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature  23
_experiment_temperature  4

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mY1-  1  1  .  primary  3  .

_exptl_crystal_magnetic_properties_details
;
NPD
The tabulated moment components with a non-zero mx component in the article are inconsistent with the figures and the text in the article. We have assumed Figures and text are correct.
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
1-dim irrep as primary
See #1.476 for a very different model of the same phase with the same MSG, and see #1.302 for a very different model with different magnetic symmetry.
;

_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  '2a-c,b,3/2a-1/2c;1/4,0,0'



_space_group_magn.number_BNS  14.80
_space_group_magn.name_BNS  "P_a 2_1/c"
_cell_length_a             11.7826(7)
_cell_length_b             7.59740(3)
_cell_length_c             20.72760(2)
_cell_angle_alpha          90.00
_cell_angle_beta           91.90
_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+1/2,-z+3/4,+1
3 -x+1/2,-y,-z,+1
4 x+3/4,-y+1/2,z+3/4,+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,y,z+1/2,-1
4 x+1/2,y,z,-1

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Co1 Co 0.38300 0.27700 0.03650
Ba1 Ba 0.11715 0.49260 0.09535
Ba2 Ba 0.37850 0.85210 0.04165
O1 O 0.25800 0.20450 0.08330
O2 O 0.49900 0.17490 0.07120
O3 O 0.35160 0.18600 0.45925
O4 O 0.38700 0.50720 0.04030

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 0.00000 0.90000 3.08000 mx,my,mz 3.23(6)

