#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 17:00:44
# Database entry: 0.140 LuFe4Ge2
# Cif-like file for the case 0.140


data_5yOhtAoR
_audit_creation_date            2017-11-19
_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                    'Lu Fe4 Ge2'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "Journal of Magnetism and Magnetic Materials"
_citation_journal_volume        324
_citation_page_first            3709
_citation_page_last             3715
_citation_article_id            .
_citation_year                  2012
_citation_DOI                   10.1016/j.jmmm.2012.05.058

loop_
_citation_author_name
"P. Schobinger-Papamantellos"
"K. Buschow"
"J. Rodriguez-Carvajal"






_atomic_positions_source_database_code_ICSD   186047
_atomic_positions_source_other               .

_transition_temperature     32
_experiment_temperature     1.5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM2- 1 1 . primary 2 .
GM2+ 1 1 . primary 3 .
mGM1- 1 1 . secondary 2 no

_exptl_crystal_magnetic_properties_details
;
NPD
Simultaneous structural and magnetic first order transition
Fe moment: 0.44(7)
Fe displacements in the orthorhombic structural distortion are of the order of 0.05A
;

_active_magnetic_irreps_details
;
1k magnetic structure
An alternative model with symmetry Pnm'm', which could be reached by a single irrep spin mode and could explain the simultaneous orthorhombic structural distortion as a magnetic induced effect does not seem to have been considered in detail.
The spin arrangement corresponds to one of the two 1-dim magnetic irreps that are symmetry-allowed, and it does not break the tetragonal symmetry. Therefore, the structural distortion cannot be an induced effect, and must be taken as an independent primary order parameter, which condenses simultaneously.
Similar to YFe4Ge2 (see entry #0.27)
;

_parent_space_group.name_H-M_alt  'P  4_2/m  n  m'
_parent_space_group.IT_number                       136
_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  58.399
_space_group_magn.name_BNS  "P  n'  n'  m'  "
_space_group_magn.point_group_name  "m'm'm'"
_space_group_magn.point_group_number  "8.5.28"
_cell_length_a                 7.2884
_cell_length_b                 7.1048
_cell_length_c                 3.8689
_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+1/2,-y+1/2,-z+1/2,+1
3 -x+1/2,y+1/2,-z+1/2,+1
4 -x,-y,z,+1
5 -x,-y,-z,-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,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
Lu1 Lu 0.00000 0.00000 0.50000 1
Fe1_1 Fe 0.0961 0.35330 0.00000 1
Fe1_2 Fe 0.1468 0.5868 0.50000 1
Ge1 Ge 0.2112 0.7805 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
Fe1_1 0.4 -0.2 0.0 mx,my,0
Fe1_2 -0.2 -0.4 0.0 mx,my,0

