#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 17:12:41
# Database entry: 1.104 Gd2CuO4
# Cif-like file for the case 1.104


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        46
_citation_page_first            5731
_citation_page_last             5734
_citation_article_id            .
_citation_year                  1992
_citation_DOI                   10.1103/PhysRevB.46.5731

loop_
_citation_author_name
"T. Chattopadhyay"
"P.J. Brown"
"B. Roessli"
"A.A. Stepanov"
"S.N. Barilo"
"D.I. Zhigunov"




_atomic_positions_source_database_code_ICSD   65015
_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
mX4+ 2 1 . primary 1 .

_exptl_crystal_magnetic_properties_details
;
NSD
This phase is reported to have weak ferromagnetism, and this is not compatible with the k different from zero of this magnetic ordering.
An independent structural orthorhombic distortion with the same k vector, reported in 1994 (Europhysics Letters (1994) 25, 625), would explain the WF (see entry 0.82).
Arbitrary magnitude of Cu moment.
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (3 possible)
The symmetry of the phase according to this model would be incompatible with the observed  WF.
;

_parent_space_group.name_H-M_alt  'I  4/m  m  m'
_parent_space_group.IT_number                       139
_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  '-c,-1/2a+1/2b,1/2a+1/2b;1/8,3/8,1/4'


_space_group_magn.number_BNS  66.500
_space_group_magn.name_BNS  "C_A  c  c  m"
_space_group_magn.point_group_name  "mmm1'"
_space_group_magn.point_group_number  "8.2.25"
_cell_length_a                 7.78400
_cell_length_b                 7.78400
_cell_length_c                 11.87800
_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
3 -y+3/4,-x+3/4,-z+1/2,+1
4 y+3/4,x+1/4,-z+1/2,+1
5 -x+1/4,-y+3/4,-z+1/2,+1
6 x+1/4,y+1/4,-z+1/2,+1
7 y,x+1/2,z,+1
8 -y+1/2,-x+1/2,z,+1

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1
2 x+1/4,y+3/4,z+1/2,+1
3 x+1/2,y+1/2,z,+1
4 x+3/4,y+1/4,z+1/2,+1
5 x,y+1/2,z,-1
6 x+1/4,y+1/4,z+1/2,-1
7 x+1/2,y,z,-1
8 x+3/4,y+3/4,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 0.34916 1
Cu1 Cu 0.00000 0.00000 0.00000 1
O1 O 0.00000 0.25000 0.25000 1
O2 O 0.00000 0.25000 0.00000 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 1. 1. 0.0 mx,mx,0

