#\#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                    "Er Fe6 Ge6"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "Journal of Alloys and Compounds"
_citation_journal_volume        257
_citation_page_first            36
_citation_page_last             45
_citation_article_id            .
_citation_year                  1997
_citation_DOI                   10.1016/S0925-8388(96)03125-8

loop_
_citation_author_name
"O. Oleksyn"
"P. Schobinger-Papamantellos"
"J. Rodriguez-Carvajal"
"E. Bruck"
"K. H. J. Buschow"

_temperature_position_structure         .
_temperature_atom_positions             .
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_atomic_positions_source_database_code_ICSD  84015
_atomic_positions_source_other               .

_transition_temperature     470
_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 11 .

_exptl_crystal_magnetic_properties_details
;
NPD
;

_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                 8.09910
_cell_length_b                 26.52930
_cell_length_c                 5.10720
_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
Er1 Er 0.00000 0.00000 0.00000 0.64
Er2 Er 0.00000 0.16770 0.50000 0.6
Er3 Er 0.00000 0.50000 0.50000 0.36
Er4 Er 0.00000 0.66770 0.00000 0.4
Ge1 Ge 0.35920 0.00000 0.00000 0.776
Ge2 Ge 0.85920 0.66770 0.00000 0.732
Ge3 Ge 0.81500 0.00000 0.00000 0.184
Ge4 Ge 0.31500 0.66770 0.00000 0.268
Ge5 Ge 0.00000 0.05700 0.50000 1.
Ge6 Ge 0.00000 0.55700 0.00000 1.
Ge7 Ge 0.00000 0.11400 0.00000 1.
Ge8 Ge 0.00000 0.61400 0.50000 1.
Ge9 Ge 0.00000 0.22800 0.00000 1.
Ge10 Ge 0.00000 0.72800 0.50000 1.
Fe1 Fe 0.75570 0.50000 0.00000 1.
Fe2 Fe 0.25000 0.25000 0.25000 1.
Fe3 Fe 0.75570 0.83200 0.00000 1.
Fe4 Fe 0.25570 0.08300 0.25100 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
Er1 0.0 0.0 0.0 0,0,0 0.0 ? ?
Er2 0.0 0.0 0.0 0,my,0 0.0 ? ?
Er3 0.0 0.0 0.0 0,0,0 0.0 ? ?
Er4 0.0 0.0 0.0 0,my,0 0.0 ? ?
Fe1 -1.35(3) 0.0 0.0 mx,0,0 1.35(3) ? ?
Fe2 1.35(3) 0.0 0.0 mx,my,mz 1.35(3) ? ?
Fe3 -1.35(3) 0.0 0.0 mx,my,0 1.35(3) ? ?
Fe4 1.35(3) 0.0 0.0 mx,my,mz 1.35(3) ? ?

