#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 16:54:32
# Database entry: 0.82 Gd2CuO4
# Cif-like file for the case 0.82


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                    'Gd2 Cu O4'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        84
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            054426
_citation_year                  2011
_citation_DOI                   10.1103/PhysRevB.84.054426

loop_
_citation_author_name
"P.J. Brown"
"T. Chatterji"






_atomic_positions_source_database_code_ICSD   75425
_atomic_positions_source_other               .

_transition_temperature     285
_experiment_temperature     ?

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM4+ 1 1 . primary 2 .

_exptl_crystal_magnetic_properties_details
;
NSD
Phase stable down to 18K
Magnitude of Cu moment arbitrary. Magnitude of WF canting arbitrary.
Parent structure has space group Aeam (standard Cmce), instead of the I4/mmm structure assumed in other studies (see entry 1.104).
The orthorhombic  structural Aeam distortion with respect to the tetragonal structure explains the presence of weak ferromagnetism.
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (4 possible)
1-dim irrep.
If the I4/mmm structure would be taken as parent,  the main spin arrangement along x corresponds to a k=(1/2,1/2,0) irrep, while the WF component belongs to a distinct k=0 irrep, and its presence would be due to a trilinear coupling between these two and the independent k=(1/2,1/2,0) structural orthorhombic distortion. This trilinear coupling correlates the switching properties of these three distortion components.
90 degrees domains related by the parent tetragonal symmetry are observed.
;

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

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

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


_space_group_magn.number_BNS  64.476
_space_group_magn.name_BNS  "C  m'  c  a'  "
_space_group_magn.point_group_name  "m'm'm"
_space_group_magn.point_group_number  "8.4.27"
_cell_length_a                 5.50000
_cell_length_b                 5.50000
_cell_length_c                 11.87100
_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,-z+1/2,+1
3 -x,-y,-z,+1
4 x+1/2,-y,z+1/2,+1
5 -x,-y,z,-1
6 x+1/2,-y,-z+1/2,-1
7 x,y,-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,y+1/2,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
Gd1 Gd 0.00000 0.00000 0.34926 1.
Cu1 Cu 0.00000 0.00000 0.00000 1.
O1 O 0.27248 0.22682 0.00000 0.992
O2 O 0.25000 0.25523 0.25000 0.999

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 1. -0.2 0.0 mx,my,0

