#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 09/18/2022

data_5yOhtAoR
_audit_creation_date            2022-09-18
_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                    "Tm2 Fe17"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "phys. stat. sol. (a)"
_citation_journal_volume        24
_citation_page_first            K125
_citation_page_last             K127
_citation_article_id            .
_citation_year                  1974
_citation_DOI                   10.1002/pssa.2210240250

loop_
_citation_author_name
"J. R. A. A. Elemans"
"K. H. J. Buschow"

_temperature_position_structure         .
_temperature_atom_positions             300
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            4.2

_atomic_positions_source_database_code_ICSD  103672
_atomic_positions_source_other               .

_transition_temperature     275
_experiment_temperature     4.2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM2+ 1 1 . primary 8 .

_exptl_crystal_magnetic_properties_details
;
NPD
Full position structure, except cell parameters, is only given for a measurement at 300K
FM along c
Ferrimagnetic
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
1-dim irrep
;

_parent_space_group.name_H-M_alt  'P 6_3/m m c'
_parent_space_group.IT_number                       194
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [0 0 0]

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

_space_group_magn.number_BNS  194.270
_space_group_magn.name_BNS  "P 6_3/m m' c'"
_space_group_magn.point_group_name  "6/mm'm'"
_space_group_magn.point_group_number  "27.6.105"
_cell_length_a                 8.41200
_cell_length_b                 8.41200
_cell_length_c                 8.33000
_cell_angle_alpha              90.00
_cell_angle_beta               90.00
_cell_angle_gamma              120.00

loop_
_space_group_symop_magn_operation.id
_space_group_symop_magn_operation.xyz
1 x,y,z,+1 
2 x-y,x,z+1/2,+1 
3 -y,x-y,z,+1 
4 -x,-y,z+1/2,+1 
5 -x+y,-x,z,+1 
6 y,-x+y,z+1/2,+1 
7 -x,-y,-z,+1 
8 -x+y,-x,-z+1/2,+1 
9 y,-x+y,-z,+1 
10 x,y,-z+1/2,+1 
11 x-y,x,-z,+1 
12 -y,x-y,-z+1/2,+1 
13 x-y,-y,-z,-1 
14 y,x,-z,-1 
15 -x,-x+y,-z,-1 
16 x,x-y,-z+1/2,-1 
17 -x+y,y,-z+1/2,-1 
18 -y,-x,-z+1/2,-1 
19 -x+y,y,z,-1 
20 -y,-x,z,-1 
21 x,x-y,z,-1 
22 -x,-x+y,z+1/2,-1 
23 x-y,-y,z+1/2,-1 
24 y,x,z+1/2,-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
Fe1 Fe 0.33333 0.66667 0.10900 1
Fe2 Fe 0.50000 0.00000 0.00000 1
Fe3 Fe 0.32300 0.96300 0.25000 1
Fe4 Fe 0.16400 0.32800 0.98700 1
Tm1 Tm 0.00000 0.00000 0.25000 1
Tm2 Tm 0.33333 0.66667 0.75000 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
Fe1 0.0 0.0 -2.2(1) 0,0,mz 2.2(1) ? ?
Fe2 0.0 0.0 -2.2(1) mx,2mx,mz 2.2(1) ? ?
Fe3 0.0 0.0 -2.2(1) 0,0,mz 2.2(1) ? ?
Fe4 0.0 0.0 -2.2(1) mx,2mx,mz 2.2(1) ? ?
Tm1 0.0 0.0 6.4(2) 0,0,mz 6.4(2) ? ?
Tm2 0.0 0.0 6.4(2) 0,0,mz 6.4(2) ? ?



