#Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 06/08/2018 15:56:47
# Database entry: 0.27 YFe4Ge2
# Cif-like file for the case 0.27


data_5yOhtAoR
_audit_creation_date            2018-06-08
_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 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        236
_citation_page_first            14
_citation_page_last             27
_citation_article_id            .
_citation_year                  2001
_citation_DOI                   10.1016/s0304-8853(01)00442-5

loop_
_citation_author_name
"P. Schobinger-Papamantellos"
"J. Rodriguez-Carvajal"
"G. Andre"
"N. Duong"
"K. Buschow"
"P. Toledano"






_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               "."

_transition_temperature     43.5
_experiment_temperature     1.5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
? ? ? ? ? . .

_exptl_crystal_magnetic_properties_details
;
NPD
a symmetry break P42/ncm -- Pnnm of the atomic positions is simultaneous at TN. The magnetic ordering is however compatible with the tetragonal group and does not explain the structural symmetry break.
;

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

_parent_space_group.name_H-M_alt  'P  n  n  m'
_parent_space_group.IT_number                       58
_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                 7.38770
_cell_length_b                 7.20330
_cell_length_c                 3.86030
_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
Y1 Y 0.00000 0.00000 0.50000 1
Fe1 Fe 0.09440 0.35540 0.00000 1
Fe2 Fe 0.35370 0.08000 0.00000 1
Ge3 Ge 0.21000 -0.22260 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 0.54 -0.34 0.0 mx,my,0
Fe2 0.34 -0.54 0.0 mx,my,0

