#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 17:19:24
# Database entry: 1.189 TbMg3
# Cif-like file for the case 1.189


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                    'Tb Mg3'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "J. Mag. Mag. Mat."
_citation_journal_volume        6
_citation_page_first            131
_citation_page_last             133
_citation_article_id            .
_citation_year                  1977
_citation_DOI                   10.1016/0304-8853(77)90095-6

loop_
_citation_author_name
"G. Will"
"M. Bargouth"
"K. Buschow"




_atomic_positions_source_database_code_ICSD   9750
_atomic_positions_source_other               .

_transition_temperature     26
_experiment_temperature     4.2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mL2+ 4 1 . primary 1 .

_exptl_crystal_magnetic_properties_details
;
NPD
some site disorder with mixing of Tb and Mg atoms is reported
Moment modulus: 9.59
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (1 possible)
1-dim small irrep
;

_parent_space_group.name_H-M_alt  'F  m  -3m'
_parent_space_group.IT_number                       225
_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  '1/4a-1/4b,1/4b-1/4c,a+b+c;0,0,0'


_space_group_magn.number_BNS  167.108
_space_group_magn.name_BNS  "R_I  -3c"
_space_group_magn.point_group_name  "-3m1'"
_space_group_magn.point_group_number  "20.2.72"
_cell_length_a                 14.59200
_cell_length_b                 14.59200
_cell_length_c                 14.59200
_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 z,x,y,+1
3 y,z,x,+1
4 -y+1/2,-x+1/2,-z+1/2,+1
5 -z+1/2,-y+1/2,-x+1/2,+1
6 -x+1/2,-z+1/2,-y+1/2,+1
7 -x,-y,-z,+1
8 -z,-x,-y,+1
9 -y,-z,-x,+1
10 y+1/2,x+1/2,z+1/2,+1
11 z+1/2,y+1/2,x+1/2,+1
12 x+1/2,z+1/2,y+1/2,+1

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1
2 x,y+1/4,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+3/4,z+3/4,-1
18 x,y,z+1/2,-1
19 x,y+1/4,z+1/4,-1
20 x,y+1/2,z,-1
21 x+1/4,y+3/4,z+1/2,-1
22 x+1/4,y,z+1/4,-1
23 x+1/4,y+1/4,z,-1
24 x+1/4,y+1/2,z+3/4,-1
25 x+1/2,y+3/4,z+1/4,-1
26 x+1/2,y,z,-1
27 x+1/2,y+1/4,z+3/4,-1
28 x+1/2,y+1/2,z+1/2,-1
29 x+3/4,y+3/4,z,-1
30 x+3/4,y,z+3/4,-1
31 x+3/4,y+1/4,z+1/2,-1
32 x+3/4,y+1/2,z+1/4,-1

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Tb1 Tb 0.00000 0.00000 0.00000 1
Mg1 Mg 0.25000 0.25000 0.25000 1
Mg2 Mg 0.12500 0.12500 0.12500 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
Tb1 5.54 5.54 5.54 mx,mx,mx

