#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 15/10/2020

data_5yOhtAoR
_audit_creation_date            2020-10-15
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        6
_citation_page_first            2677
_citation_page_last             2682
_citation_article_id            ?
_citation_year                  1972
_citation_DOI                   10.1103/PhysRevB.6.2677

loop_
_citation_author_name
"M. Eibschutz"
"L. Holmes"
"H.J. Guggenheim"
"D.E. Cox"



_atomic_positions_source_database_code_ICSD  26067
_atomic_positions_source_other               .

_transition_temperature  69.6(1)
_experiment_temperature  4.7


loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mSM1  2  1  special  primary 3  .

_exptl_crystal_magnetic_properties_details
;
NPD
Positional structure here from a determination at 300K retrieved from ICSD
Reference parent structure in non-standard setting A2_1am
Below TN two coexisting magnetic phases are reported, called phase A and phase B. This is phase B.
See previous entry for phase A.
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (4 possible)
2-dim irrep involving k and -k  along a special direction as primary. Irrep label used here is for the standard setting Cmc2_1 of the parent space group.
;

_parent_space_group.name_H-M_alt  'A 2_1 a m'
_parent_space_group.IT_number                       36
_parent_space_group.transform_Pp_abc  '-c,b,a;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  '-b,-c,a;0,3/4,-3/8'



_space_group_magn.number_BNS  29.105
_space_group_magn.name_BNS  "P_b c a 2_1"
_cell_length_a             5.8519
_cell_length_b             14.628
_cell_length_c             8.4204
_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+1/2,-y+1/2,-z+1/4,+1
3 x+1/2,-y,z,+1
4 x,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,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
Ba1 Ba 0.46050 0.85216 0.00000
Co1 Co 0.00000 0.41274 0.00000
F1 F 0.19810 0.30180 0.00000
F2 F 0.72710 0.33360 0.00000
F3 F 0.32070 0.47180 0.00000
F4 F 0.01120 0.92060 0.00000

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 3.4(2) 0.0 0.0 mx,my,mz 3.4(2)


