#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 16:48:28
# Database entry: 0.28 LiFeSi2O6
# Cif-like file for the case 0.28


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 Si2 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   158579
_atomic_positions_source_other               .

_transition_temperature     18.1
_experiment_temperature     1.4

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

_exptl_crystal_magnetic_properties_details
;
NPD
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
1-dim irrep active
;

_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 [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  14.78
_space_group_magn.name_BNS  "P  2_1/c'  "
_space_group_magn.point_group_name  "2/m'"
_space_group_magn.point_group_number  "5.4.15"
_cell_length_a                 9.62200
_cell_length_b                 8.66400
_cell_length_c                 5.25550
_cell_angle_alpha              90.00
_cell_angle_beta               109.95
_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

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 0.25040 0.00900 0.23670 1
Fe1 Fe 0.25022 0.64788 0.23528 1
Si1 Si 0.04779 0.33899 0.27760 1
Si2 Si 0.54862 0.83874 0.25270 1
O1 O 0.86730 0.33270 0.16360 1
O2 O 0.36740 0.83470 0.13510 1
O3 O 0.11600 0.50860 0.31230 1
O4 O 0.62150 0.00320 0.35370 1
O5 O 0.10850 0.26670 0.58210 1
O6 O 0.60500 0.72320 0.51200 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 0.52(8) 0.05(6) 4.83(5) mx,my,mz

