#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 24/07/2020

data_5yOhtAoR
_audit_creation_date            2020-07-24
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        “Physica C”
_citation_journal_volume        153-155
_citation_page_first            1115
_citation_page_last             1120
_citation_article_id            ?
_citation_year                  1988
_citation_DOI                   10.1016/0921-4534(88)90212-2

loop_
_citation_author_name
"P. Burlet"
"C. Vettier"
"M. Jurgens"
"J. Henry"
"J. Rossat-Mignod"
"H. Noel"
"M. Potel"
"P. Gougeon"
"J. Levet"



_atomic_positions_source_database_code_ICSD  68008
_atomic_positions_source_other               .

_transition_temperature  420
_experiment_temperature  300

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mM5-  2  2  special  primary  1  .

_exptl_crystal_magnetic_properties_details
;
NPD and NSD
Cu1 moment is symmetry forced to be null
Position structure from a room temperature model from another study, retrieved from the ICSD.
Direction of the moments on the xy plane is undetermined. Here a direction corresponding to a maximal symmetry group has been arbitrarily chosen.
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (6 possible)
2-dim irrep as primary
;

_parent_space_group.name_H-M_alt  'P 4/m m m'
_parent_space_group.IT_number                       123
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

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

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



_space_group_magn.number_BNS  65.489
_space_group_magn.name_BNS  "C_a m m m"
_cell_length_a             7.71880
_cell_length_b             7.71880
_cell_length_c             11.81400
_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,-y,-z,+1
3 -x+1/2,y,-z,+1
4 -x+1/2,-y,z,+1
5 -x+1/2,-y,-z,+1
6 -x+1/2,y,z,+1
7 x,-y,z,+1
8 x,y,-z,+1

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1
2 x+1/2,y+1/2,z,+1
3 x,y+1/2,z,-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
Cu1 Cu 0.00000 0.00000 0.00000
Cu2 Cu 0.00000 0.00000 0.36110
Y1 Y 0.25000 0.25000 0.50000
Ba1 Ba 0.25000 0.25000 0.19460
O1 O 0.00000 0.00000 0.15240
O2_1 O 0.00000 0.25000 0.37980
O2_2 O  0.25000 0.00000 0.37980

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
Cu1 0.00000 0.00000 0.00000 0,0,0
Cu2 0.00000 0.54(5) 0.00000 0,my,0

