data_global
_amcsd_formula_title 'LiGaSi2O6'
loop_
_publ_author_name
'Sato A'
'Osawa T'
'Ohashi H'
_journal_name_full 'Acta Crystallographica, Section C'
_journal_volume 50 
_journal_year 1994
_journal_page_first 487
_journal_page_last 488
_publ_section_title
;
 LiGaSi2O6
 Note: anisoU's from ICSD
;
_database_code_amcsd 0010289
_chemical_formula_sum 'Li Ga Si2 O6'
_cell_length_a 9.561
_cell_length_b 8.569
_cell_length_c 5.268
_cell_angle_alpha 90
_cell_angle_beta 110.244
_cell_angle_gamma 90
_cell_volume 404.937
_exptl_crystal_density_diffrn      3.754
_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   0.26420   0.25000   0.01840
Ga   0.00000   0.90154   0.25000   0.00461
Si   0.29673   0.09112   0.26088   0.00443
O1   0.11357   0.08377   0.14420   0.00540
O2   0.36547   0.26160   0.32320   0.00860
O3   0.35682   0.00010   0.04910   0.00960
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Li 0.02200 0.01800 0.01500 0.00000 0.00600 0.00000
Ga 0.00449 0.00485 0.00431 0.00000 0.00129 0.00000
Si 0.00393 0.00496 0.00417 -0.00072 0.00112 -0.00029
O1 0.00350 0.00670 0.00520 -0.00040 0.00060 0.00020
O2 0.00860 0.00680 0.01120 -0.00380 0.00460 -0.00170
O3 0.00600 0.01540 0.00690 0.00000 0.00160 -0.00510