#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/18/2021

data_5yOhtAoR
_audit_creation_date            2021-11-18
_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                    "Y Fe6 Sn6"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "JOURNAL OF APPLIED PHYSICS"
_citation_journal_volume        87
_citation_page_first            6046
_citation_page_last             6048
_citation_article_id            .
_citation_year                  2000
_citation_DOI                   10.1063/1.372607

loop_
_citation_author_name
"J. M. Cadogan"
"Suharyana"
"D. H. Ryan"
"O. Moze"
"W. Kockelmann"

_temperature_position_structure         593
_temperature_atom_positions             .
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_atomic_positions_source_database_code_ICSD  190220
_atomic_positions_source_other               .

_transition_temperature     558
_experiment_temperature     293

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mX1- 1 1 . primary 9 .

_exptl_crystal_magnetic_properties_details
;
NPD
Relative signs of the four symmetry independent Fe moments are not specified. Here they have been inferred from a comparison with the model for ErFe6Ge6  (see #1.632), which is mentioned in the paper, and the comments in the text on the Mossbauer results.
Moment magnitude is reported to increase to 2.14(6) at 4K.
;

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

_parent_space_group.name_H-M_alt  'I m m m'
_parent_space_group.IT_number                       71
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [1 1 1]

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

_space_group_magn.number_BNS  48.264
_space_group_magn.name_BNS  "P_I n n n"
_space_group_magn.point_group_name  "mmm1'"
_space_group_magn.point_group_number  "8.2.25"
_cell_length_a                 8.90210
_cell_length_b                 27.98910
_cell_length_c                 5.39320
_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,-z,+1 
3 -x,y,-z,+1 
4 -x,-y,z,+1 
5 -x+1/2,-y+1/2,-z+1/2,+1 
6 -x+1/2,y+1/2,z+1/2,+1 
7 x+1/2,-y+1/2,z+1/2,+1 
8 x+1/2,y+1/2,-z+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 

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Y1 Y 0.00000 0.00000 0.00000 1
Y2 Y 0.00000 0.16740 0.50000 1
Fe1 Fe 0.74580 0.50000 0.00000 1
Fe2 Fe 0.25000 0.25000 0.25000 1
Fe3 Fe 0.75350 0.83450 0.00000 1
Fe4 Fe 0.24830 0.08370 0.24470 1
Sn1 Sn 0.31500 0.00000 0.00000 1
Sn2 Sn 0.00000 0.55540 0.00000 1
Sn3 Sn 0.00000 0.11280 0.00000 1
Sn4 Sn 0.00000 0.22450 0.00000 1
Sn5 Sn 0.00000 0.05640 0.50000 1
Sn6 Sn 0.00000 0.61000 0.50000 1
Sn7 Sn 0.00000 0.72210 0.50000 1
Sn8 Sn 0.83990 0.66810 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
_atom_site_moment.magnitude
_atom_site_moment.spherical_azimuthal
_atom_site_moment.spherical_polar
Fe1 -2.03(7) 0.0 0.0 mx,0,0 2.03(7) ? ?
Fe2 2.03(7) 0.0 0.0 mx,my,mz 2.03(7) ? ?
Fe3 -2.03(7) 0.0 0.0 mx,my,0 2.03(7) ? ?
Fe4 2.03(7) 0.0 0.0 mx,my,mz 2.03(7) ? ?

