#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 10/26/2022

data_5yOhtAoR
_audit_creation_date            2022-10-26
_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                    "Gd1 In1 Cu4"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "J. Phys.: Condens. Matter"
_citation_journal_volume        11
_citation_page_first            1095
_citation_page_last             1104
_citation_article_id            .
_citation_year                  1999
_citation_DOI                   10.1088/0953-8984/11/4/017

loop_
_citation_author_name
"H. Nakamura"
"N. Kim"
"M. Shiga"
"R. Kmiec"
"K. Tomala"
"E. Ressouche"
"J. P. Sanchez"
"B. Malaman"

_temperature_position_structure         293
_temperature_atom_positions             .
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_atomic_positions_source_database_code_ICSD  627611
_atomic_positions_source_other               .

_transition_temperature     7
_experiment_temperature     2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mW1 6 1 special primary 1 .

_exptl_crystal_magnetic_properties_details
;
NPD
Positional structure from a determination at room temperature by another work and retrieved from the ICSD
Significant diffuse scattering is reported
Half of the Gd moments remain disordered.
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
2-dim small extended irrep (k,-k), along a special direction (special phase of the modulation)
Zero moment in one of the split Gd sites is symmetry dictated
;

_parent_space_group.name_H-M_alt  'F -4 3 m'
_parent_space_group.IT_number                       216
_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]

_parent_space_group.child_transform_Pp_abc  'a,2b,c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  'a,c,-b;0,1/4,1/2'

_space_group_magn.number_BNS  121.332
_space_group_magn.name_BNS  "I_c -4 2 m"
_space_group_magn.point_group_name  "-42m1'"
_space_group_magn.point_group_number  "14.2.49"
_cell_length_a                 7.22700
_cell_length_b                 14.45400
_cell_length_c                 7.22700
_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 
3 -x,-y+1/2,z,+1 
4 -x,y,-z,+1 
5 z+1/2,-y+1/2,-x+1/2,+1 
6 -z+1/2,-y+1/2,x+1/2,+1 
7 -z+1/2,y,-x+1/2,+1 
8 z+1/2,y,x+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+1/2,+1 
3 x,y+1/2,z,-1 
4 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
Gd1_1 Gd 0.00000 0.00000 0.00000 1
Gd1_2 Gd 0.00000 0.25000 0.50000 1
In1 In 0.25000 0.12500 0.25000 1
Cu1_1 Cu 0.62550 0.31275 0.62550 1
Cu1_2 Cu 0.62550 0.56275 0.12550 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
_atom_site_moment.magnitude
_atom_site_moment.spherical_azimuthal
_atom_site_moment.spherical_polar
Gd1_1 0.0 6.9(5) 0.0 0,my,0 6.9(5) ? ?
Gd1_2 0.0 0.0 0.0 0,0,0 0.0 ? ?

