#\#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         293
_temperature_atom_positions             .
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_atomic_positions_source_database_code_ICSD  84015
_atomic_positions_source_other               .

_transition_temperature     3
_experiment_temperature     1.5K

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mX1- 1 1 . primary 11 .
mGM3+ 1 1 . primary 13 .

_exptl_crystal_magnetic_properties_details
;
NPD
Position structure from a determination at 293K.
Fe moments order below 470K according to the irrep mX1- (see #1.632 for the magnetic structure at 293K). The Er moments order below 3K according to a FM arrangement along a.
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
two primary irreps involved, i.e. two order parameters, one for each atomic species.
;

_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]
k2 [0 0 0]

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

_space_group_magn.number_BNS  59.409
_space_group_magn.name_BNS  "P m' m' n"
_space_group_magn.point_group_name  "m'm'm"
_space_group_magn.point_group_number  "8.4.27"
_cell_length_a                 8.09910
_cell_length_b                 26.52930
_cell_length_c                 5.10721
_cell_angle_alpha              90.00000
_cell_angle_beta               90.00000
_cell_angle_gamma              90.00000

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+1/2,-y+1/2,-z+1/2,+1 
4 -x+1/2,y+1/2,z+1/2,+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,-y,z,-1 
8 x,y,-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
Er1 Er 0.00000 0.00000 0.00000 0.64000
Er2 Er 0.50000 0.66770 0.00000 0.60000
Er3 Er 0.50000 0.00000 0.00000 0.36000
Er4 Er 0.00000 0.66770 0.00000 0.40000
Ge1_1 Ge 0.35920 0.00000 0.00000 0.77600
Ge1_2 Ge 0.64080 0.00000 0.00000 0.77600
Ge2_1 Ge 0.85920 0.66770 0.00000 0.73200
Ge2_2 Ge 0.14080 0.66770 0.00000 0.73200
Ge3_1 Ge 0.81500 0.00000 0.00000 0.18400
Ge3_2 Ge 0.18500 0.00000 0.00000 0.18400
Ge4_1 Ge 0.31500 0.66770 0.00000 0.26800
Ge4_2 Ge 0.68500 0.66770 0.00000 0.26800
Ge5 Ge 0.50000 0.55700 0.00000 1.00000
Ge6 Ge 0.00000 0.55700 0.00000 1.00000
Ge7 Ge 0.00000 0.11400 0.00000 1.00000
Ge8 Ge 0.50000 0.11400 0.00000 1.00000
Ge9 Ge 0.00000 0.22800 0.00000 1.00000
Ge10 Ge 0.50000 0.22800 0.00000 1.00000
Fe1_1 Fe 0.74430 0.00000 0.50000 1.00000
Fe1_2 Fe 0.25570 0.00000 0.50000 1.00000
Fe2_1 Fe 0.25000 0.75000 0.75000 1.00000
Fe2_2 Fe 0.75000 0.75000 0.75000 1.00000
Fe3_1 Fe 0.75570 0.83200 0.00000 1.00000
Fe3_2 Fe 0.24430 0.83200 0.00000 1.00000
Fe4_1 Fe 0.25570 0.08300 0.25100 1.00000
Fe4_2 Fe 0.75570 0.58300 0.75100 1.00000

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 7.5(2) 0.0 0.0 mx,0,0 7.5(2) ? ?
Er2 7.5(2) 0.0 0.0 mx,my,0 7.5(2) ? ?
Er3 7.5(2) 0.0 0.0 mx,0,0 7.5(2) ? ?
Er4 7.5(2) 0.0 0.0 mx,my,0 7.5(2) ? ?
Fe1_1 -2.0(2) 0.0 0.0 mx,0,0 2.0(2) ? ?
Fe1_2 2.0(2) 0.0 0.0 mx,0,0 2.0(2) ? ?
Fe2_1 2.0(2) 0.0 0.0 mx,my,mz 2.0(2) ? ?
Fe2_2 -2.0(2) 0.0 0.0 mx,my,mz 2.0(2) ? ?
Fe3_1 -2.0(2) 0.0 0.0 mx,my,0 2.0(2) ? ?
Fe3_2 2.0(2) 0.0 0.0 mx,my,0 2.0(2) ? ?
Fe4_1 2.0(2) 0.0 0.0 mx,my,mz 2.0(2) ? ?
Fe4_2 -2.0(2) 0.0 0.0 mx,my,mz 2.0(2) ? ?

