#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 17:07:34
# Database entry: 1.39 LiFeGe2O6
# Cif-like file for the case 1.39


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                    'Li Fe Ge2 O6'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "Journal of Solid State Chemistry"
_citation_journal_volume        182
_citation_page_first            2374
_citation_page_last             2384
_citation_article_id            .
_citation_year                  2009
_citation_DOI                   10.1016/j.jssc.2009.06.013

loop_
_citation_author_name
"G.J. Redhammer"
"G. Roth"
"W. Treutmann"
"M. Hoelzel"
"W. Paulus"
"G. Andre"
"C. Pietzonka"
"G. Amthauer"





_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature     20
_experiment_temperature     5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mY1+ 1 1 . primary . .

_exptl_crystal_magnetic_properties_details
;
NPD
reference reports an incorrect magnetic space group
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (4 possible)
;

_parent_space_group.name_H-M_alt  'P  2_1/c'
_parent_space_group.IT_number                       14
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [1/2 0 0]

_parent_space_group.child_transform_Pp_abc  '2a,b,c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  'a,b,c;0,0,0'


_space_group_magn.number_BNS  14.80
_space_group_magn.name_BNS  "P_a  2_1/c"
_space_group_magn.point_group_name  "2/m1'"
_space_group_magn.point_group_number  "5.2.13"
_cell_length_a                 19.72720
_cell_length_b                 8.80500
_cell_length_c                 5.36480
_cell_angle_alpha              90.00
_cell_angle_beta               108.84
_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+1/2,-z+1/2,+1
3 -x,-y,-z,+1
4 x,-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,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
Li1 Li 0.12905 0.48940 0.72290 1
Fe1 Fe 0.12537 0.65072 0.21350 1
Ge1 Ge 0.02304 0.34196 0.28184 1
Ge2 Ge 0.27639 0.83939 0.23032 1
O1 O 0.92920 0.33210 0.17610 1
O2 O 0.05730 0.52190 0.28630 1
O3 O 0.05905 0.29070 0.61590 1
O4 O 0.18230 0.83150 0.10750 1
O5 O 0.31480 0.00380 0.38450 1
O6 O 0.30610 0.68910 0.45710 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 4.51(2) 0.03(4) 1.38(5) mx,my,mz

