#Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 06/08/2018 15:58:09
# Database entry: 3.1 TmAgGe
# Cif-like file for the case 3.1


data_5yOhtAoR
_audit_creation_date            2018-06-08
_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                    'Tm Ag Ge'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "Journal of Magnetism and Magnetic Materials"
_citation_journal_volume        321
_citation_page_first            3256
_citation_page_last             3261
_citation_article_id            .
_citation_year                  2009
_citation_DOI                   10.1016/j.jmmm.2009.05.064

loop_
_citation_author_name
"S. Baran"
"D. Kaczorowski"
"A. Arulraj"
"B. Penc"
"A. Szytula"





_atomic_positions_source_database_code_ICSD   164587
_atomic_positions_source_other               "."

_transition_temperature     4.2
_experiment_temperature     1.5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mM2 3 1 special-2 primary 3 .

_exptl_crystal_magnetic_properties_details
;
NPD
the model includes constraints between the three symmetry-independent magnetic atoms
;

_active_magnetic_irreps_details
;
3k magnetic structure
3k-maximal magnetic symmetry
1 secondary mode with magnetic irrep (mGM2 with dim 1) is symmetry allowed, but not present
;

_parent_space_group.name_H-M_alt  'P  -62m'
_parent_space_group.IT_number                       189
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [1/2 0 0]
k2 [1/2 1/2 0]
k3 [0 1/2 0]

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


_space_group_magn.number_BNS  189.224
_space_group_magn.name_BNS  "P  -6'2m'  "
_space_group_magn.point_group_name  "-6'm'2"
_space_group_magn.point_group_number  "26.3.97"
_cell_length_a                 14.0520
_cell_length_b                 14.0520
_cell_length_c                 4.1430
_cell_angle_alpha              90.0000
_cell_angle_beta               90.0000
_cell_angle_gamma              120.0000

loop_
_space_group_symop_magn_operation.id
_space_group_symop_magn_operation.xyz
1 x,y,z,+1
2 -y,x-y+1/2,z,+1
3 -x+y+1/2,-x,z,+1
4 x-y+1/2,-y,-z,+1
5 y,x,-z,+1
6 -x,-x+y+1/2,-z,+1
7 -x+y+1/2,-x,-z,-1
8 x,y,-z,-1
9 -y,x-y+1/2,-z,-1
10 -x,-x+y+1/2,z,-1
11 x-y+1/2,-y,z,-1
12 y,x,z,-1

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Tm1_1 Tm 0.78800 0.50000 0.50000 1
Tm1_2 Tm 0.28800 0.50000 0.50000 1
Tm1_3 Tm 0.71200 0.21200 0.50000 1
Ag1_1 Ag 0.62500 0.50000 0.00000 1
Ag1_2 Ag 0.12500 0.50000 0.00000 1
Ag1_3 Ag 0.87500 0.37500 0.00000 1
Ge1_1 Ge 0.66667 0.83333 0.00000 1
Ge1_2 Ge 0.83333 0.16667 0.00000 1
Ge2_1 Ge 0.00000 0.50000 0.50000 1
Ge2_3 Ge 0.50000 0.50000 0.50000 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
Tm1_1 -6.44 0.0 0.0 mx,0,0
Tm1_2 -6.44 0.0 0.0 mx,0,0
Tm1_3 -6.44 -6.44 0.0 mx,my,0

