#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 17:06:30
# Database entry: 1.23 La2CuO4
# Cif-like file for the case 1.23


data_5yOhtAoR
_audit_creation_date            2017-11-19
_audit_creation_method          "Bilbao Crystallographic Server"

_chemical_name_systematic
;
;
_chemical_name_common                    ?
_chemical_formula_moiety                 ?
_chemical_formula_structural             ?
_chemical_formula_analytical             ?
_chemical_formula_iupac                  ?
_chemical_formula_sum                    'La2 Cu O4'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        36
_citation_page_first            826
_citation_page_last             ?
_citation_article_id            .
_citation_year                  1987
_citation_DOI                   10.1103/physrevb.36.826

loop_
_citation_author_name
"T. Freltoft"
"J.P. Remeika"
"D.E. Moncton"
"A.S. Cooper"
"J.E. Fischer"
"D. Harshman"
"G. Shirane"
"S.K. Sinha"
"D. Vaknin"





_atomic_positions_source_database_code_ICSD   87969
_atomic_positions_source_other               .

_transition_temperature     50
_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 . .

_exptl_crystal_magnetic_properties_details
;
NSD
also reference PHYSICAL REVIEW LETTERS 58, 2802 (1987)
;

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

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


_space_group_magn.number_BNS  56.374
_space_group_magn.name_BNS  "'P_A  c  c  n'  "
_space_group_magn.point_group_name  "mmm1'"
_space_group_magn.point_group_number  "8.2.25"
_cell_length_a                 5.35700
_cell_length_b                 13.14800
_cell_length_c                 5.40600
_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+1/2,-z,+1
4 -x+1/2,y,-z+1/2,+1
5 -x,-y,-z,+1
6 x,y+1/2,-z+1/2,+1
7 -x+1/2,y+1/2,z,+1
8 x+1/2,-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+1/2,y+1/2,z,-1

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1 Cu 0.00000 0.00000 0.00000 1
La1 La 0.00000 0.36110 0.00460 1
O1 O 0.25000 -0.00510 0.25000 1
O2 O 0.00000 0.18300 -0.02430 1

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 0.0 0.0 0.17 0,my,mz

