#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 17:13:02
# Database entry: 1.111 GdBiPt
# Cif-like file for the case 1.111


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                    'Gd Bi Pt'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        90
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            041109(R)
_citation_year                  2014
_citation_DOI                   10.1103/PhysRevB.90.041109

loop_
_citation_author_name
"R.A. Muller"
"N.R. Lee-Hone"
"L. Lapointe"
"D.H. Ryan"
"T. Pereg-Barnea"
"A.D. Bianchi"
"Y. Mozharivskyj"
"R. Flacau"




_atomic_positions_source_database_code_ICSD   58786
_atomic_positions_source_other               .

_transition_temperature     8.5
_experiment_temperature     3.6

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mL3 8 2 special primary 1 .
mL2 4 1 . secondary 1 no

_exptl_crystal_magnetic_properties_details
;
NPD
Irrep basis modes were restricted arbitrarily. Alternative combinations of the irrep basis modes were not considered.
Authors incorrectly assume that the structure is chiral and that an enantiomorph is possible.
;

_active_magnetic_irreps_details
;
1k magnetic structure
Alternative high symmetry C_cm for the same irrep with the the moments aligned along the [1,-1,0] was not tested.
The absence of the secondary irrep specializes the spin direction to [2,-1,-1], while the MSG allows in general the plane [mx,mz,mz].
;

_parent_space_group.name_H-M_alt  'F  -43m'
_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 [1/2 1/2 1/2]

_parent_space_group.child_transform_Pp_abc  '2a,2b,2c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  '-1/2a+1/4b+1/4c,-1/4b+1/4c,1/2b+1/2c;0,1/8,7/8'


_space_group_magn.number_BNS  9.40
_space_group_magn.name_BNS  "C_c  c"
_space_group_magn.point_group_name  "m1'"
_space_group_magn.point_group_number  "4.2.10"
_cell_length_a                 13.36000
_cell_length_b                 13.36000
_cell_length_c                 13.36000
_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,z+1/2,y,+1

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1
2 x,y+1/4,z+3/4,+1
3 x,y+1/2,z+1/2,+1
4 x,y+3/4,z+1/4,+1
5 x+1/4,y,z+3/4,+1
6 x+1/4,y+1/4,z+1/2,+1
7 x+1/4,y+1/2,z+1/4,+1
8 x+1/4,y+3/4,z,+1
9 x+1/2,y,z+1/2,+1
10 x+1/2,y+1/4,z+1/4,+1
11 x+1/2,y+1/2,z,+1
12 x+1/2,y+3/4,z+3/4,+1
13 x+3/4,y,z+1/4,+1
14 x+3/4,y+1/4,z,+1
15 x+3/4,y+1/2,z+3/4,+1
16 x+3/4,y+3/4,z+1/2,+1
17 x,y+1/4,z+1/4,-1
18 x,y+1/2,z,-1
19 x,y+3/4,z+3/4,-1
20 x,y,z+1/2,-1
21 x+1/4,y+1/4,z,-1
22 x+1/4,y+1/2,z+3/4,-1
23 x+1/4,y+3/4,z+1/2,-1
24 x+1/4,y,z+1/4,-1
25 x+1/2,y+1/4,z+3/4,-1
26 x+1/2,y+1/2,z+1/2,-1
27 x+1/2,y+3/4,z+1/4,-1
28 x+1/2,y,z,-1
29 x+3/4,y+1/4,z+1/2,-1
30 x+3/4,y+1/2,z+1/4,-1
31 x+3/4,y+3/4,z,-1
32 x+3/4,y,z+3/4,-1

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Bi1 Bi 0.37500 0.37500 0.37500 1
Gd1 Gd 0.12500 0.12500 0.12500 1
Pt1 Pt 0.00000 0.00000 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
Gd1 -5.4 2.7 2.7 mx,mz,mz

