data_global
_amcsd_formula_title 'LiFeSi2O6'
loop_
_publ_author_name
'Redhammer G J'
'Roth G'
'Paulus W'
'Andre G'
'Lottermoser W'
'Amthauer G'
'Treutmann W'
'Koppelhuber-Bitschnau B'
_journal_name_full 'Physics and Chemistry of Minerals'
_journal_volume 28 
_journal_year 2001
_journal_page_first 337
_journal_page_last 346
_publ_section_title
;
 The crystal and magnetic structure of Li-aegirine LiFeSi2O6:
 a temperature-dependent study
 Sample: T = 298 K
 Pyroxene
;
_database_code_amcsd 0008556
_chemical_formula_sum 'Li Fe Si2 O6'
_cell_length_a 9.684
_cell_length_b 8.661
_cell_length_c 5.292
_cell_angle_alpha 90
_cell_angle_beta 110.12
_cell_angle_gamma 90
_cell_volume 416.770
_exptl_crystal_density_diffrn      3.426
_symmetry_space_group_name_H-M 'C 1 2/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Li   0.00000   0.26240   0.25000   0.01060
Fe   0.00000   0.89832   0.25000   0.00290
Si   0.29616   0.08948   0.26580   0.00120
O1   0.11590   0.08480   0.14960   0.00570
O2   0.36650   0.25850   0.32550   0.00920
O3   0.35570  -0.00110   0.05490   0.00980