#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 23/05/2020

data_5yOhtAoR
_audit_creation_date            2020-05-23
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        73
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            144513
_citation_year                  2006
_citation_DOI                   10.1103/PhysRevB.73.144513

loop_
_citation_author_name
"M. Reehuis"
"C. Ulrich"
"K. Prokes"
"A. Gozar"
"G. Blumberg"
"S. Komiya"
"Y. Ando"
"P. Pattison"
"B. Keimer"



_atomic_positions_source_database_code_ICSD  155496
_atomic_positions_source_other               .

_transition_temperature  316(2)
_experiment_temperature  10

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mY4+  1  1  .  primary 2  .

_exptl_crystal_magnetic_properties_details
;
NSD
Position structure from a determination at 325K
Non-standard setting Bmeb of the parent space group Cmce
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (4 possible)
1-dim irrep as primary
Irrep label here corresponds to the standard setting Cmce of the parent space group
;

_parent_space_group.name_H-M_alt  'B m e b'
_parent_space_group.IT_number                       64
_parent_space_group.transform_Pp_abc  'a,-c,b;0,0,0'

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

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



_space_group_magn.number_BNS  56.374
_space_group_magn.name_BNS  "P_A c c n"
_cell_length_a             5.35680
_cell_length_b             5.40580
_cell_length_c             13.14320
_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+1/2,-z+1/2,+1
3 x+1/2,-y,-z+1/2,+1
4 -x+1/2,-y+1/2,z,+1
5 -x,-y,-z,+1
6 x,-y+1/2,z+1/2,+1
7 -x+1/2,y,z+1/2,+1
8 x+1/2,y+1/2,-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,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
La1 La 0.00000 0.99328 0.36145 1.0001
Cu1 Cu 0.00000 0.00000 0.00000 0.9991
O1 O 0.25000 0.25000 0.99281 1.0016
O2 O 0.00000 0.03406 0.18367 0.9925

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 0.42(1) 0.00000 0,my,mz

