#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 31/05/2019


data_5yOhtAoR
_audit_creation_date            2019-05-31
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Solid State Sciences"
_citation_journal_volume        10
_citation_page_first            471
_citation_page_last             475
_citation_article_id            ?
_citation_year                  2008
_citation_DOI                   10.1016/j.solidstatesciences.2007.12.032

loop_
_citation_author_name
"O. Mentre"
"M. Kauffmann"
"G. Ehora"
"S. Daviero-Minaud"
"F. Abraham"
"P. Roussel"



_atomic_positions_source_database_code_ICSD  157987
_atomic_positions_source_other               .

_transition_temperature  135
_experiment_temperature  ?

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mA4  1  1  .  primary  3  .

_exptl_crystal_magnetic_properties_details
;
NPD
Atomic positions taken from a icsd at 3K. Lattice parameters from the reference.
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal symmetry (4 possible)
1-dim irrep active
;

_parent_space_group.name_H-M_alt  'P -6 m 2'
_parent_space_group.IT_number                       187
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

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

_parent_space_group.child_transform_Pp_abc  'a,b,2c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  'a,b,c;0,0,0'



_space_group_magn.number_BNS  188.220
_space_group_magn.name_BNS  "P_c -6 c 2"
_cell_length_a             5.671
_cell_length_b             5.671
_cell_length_c             28.912
_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 -y,x-y,z,+1
3 -x+y,-x,z,+1
4 x,x-y,-z,+1
5 -x+y,y,-z,+1
6 -y,-x,-z,+1
7 -x+y,-x,-z+1/2,+1
8 x,y,-z+1/2,+1
9 -y,x-y,-z+1/2,+1
10 -x+y,y,z+1/2,+1
11 -y,-x,z+1/2,+1
12 x,x-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,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
_atom_site_occupancy
Ba1 Ba 0.00000 0.00000 0.10156 1.
Ba2 Ba 0.66667 0.33333 0.17688 1.
Ba3 Ba 0.00000 0.00000 0.25000 1.
Ba4 Ba 0.33333 0.66667 0.00000 1.
Co1 Co 0.33333 0.66667 0.12268 1.
Co2 Co 0.33333 0.66667 0.20841 1.
Co3 Co 0.66667 0.33333 0.06073 1.
Cl1 Cl 0.00000 0.00000 0.00000 1.
O1 O 0.49164 0.50836 0.08343 1.
O2 O 0.18561 0.81439 0.16665 0.9379
O3 O 0.48242 0.51758 0.25000 0.9654
O4 O 0.71080 0.28920 0.00000 0.3333

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
Co1 0.00000 0.00000 0.53(9) 0,0,mz
Co2 0.00000 0.00000 0.54(9) 0,0,mz
Co3 0.00000 0.00000 2.85(7) 0,0,mz

