#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 27/10/2020

data_5yOhtAoR
_audit_creation_date            2020-10-27
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Solid State Communications"
_citation_journal_volume        87
_citation_page_first            1035
_citation_page_last             1037
_citation_article_id            ?
_citation_year                  1993
_citation_DOI                   10.1016/0038-1098(93)90556-3

loop_
_citation_author_name
"I. Golosovsky"
"P. Boni"
"P. Fischer"



_atomic_positions_source_database_code_ICSD  62903
_atomic_positions_source_other               .

_transition_temperature  ?
_experiment_temperature  1.7

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mT1  2  2  special  primary  3  .

_exptl_crystal_magnetic_properties_details
;
NPD
Transition temperature is not mentioned
Position structure from another study at room temperature retrieved from ICSD
The two alternative models proposed in the article, which could equally fit the data, are in fact domain-related equivalent structures. Here, one of these two equivalent descriptions, is used.
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (4 possible)
2-dim irrep along a special direction as primary
;

_parent_space_group.name_H-M_alt  'P n m a'
_parent_space_group.IT_number                       62
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

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

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



_space_group_magn.number_BNS  14.80
_space_group_magn.name_BNS  "P_a 2_1/c"
_cell_length_a             12.17600
_cell_length_b             11.31000
_cell_length_c             14.26000
_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+3/4,-z+1/4,+1
3 -x,-y,-z,+1
4 -x+1/2,y+3/4,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+1/2,z+1/2,+1
3 x,y+1/2,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
Ba1 Ba 0.09520 0.12500 0.03492
Y1 Y 0.42618 0.12500 0.44795
Y2 Y 0.21173 0.12500 0.30815
Cu1 Cu 0.84050 0.12500 0.10630
O1_1 O 0.56810 0.25350 0.41725
O1_2 O  0.93190 0.74650 0.66725
O2_1 O 0.77120 0.25150 0.32160
O2_2 O  0.72880 0.74850 0.57160
O3 O 0.90000 0.12500 0.46100

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
Cu1 0.00000 0.00000 0.55(3) mx,my,mz  0.55(3)


