data_global
_amcsd_formula_title 'LiInSiO4'
loop_
_publ_author_name
'Redhammer G J'
'Roth G'
_journal_name_full 'Acta Crystallographica, Section C'
_journal_volume 59 
_journal_year 2003
_journal_page_first i38
_journal_page_last i40
_publ_section_title
;
 LiInSiO4: a new monovalent-trivalent olivine
;
_database_code_amcsd 0010325
_chemical_formula_sum 'Li In Si O4'
_cell_length_a 4.8448
_cell_length_b 10.5043
_cell_length_c 6.0634
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 308.574
_exptl_crystal_density_diffrn      4.603
_symmetry_space_group_name_H-M 'P b n m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,y,1/2-z'
  '-x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Li1   0.00000   0.00000   0.00000   0.01960
In2   0.97826   0.27571   0.25000   0.00495
Si   0.42410   0.08917   0.25000   0.00502
O1   0.75350   0.09830   0.25000   0.00700
O2   0.29480  -0.05370   0.25000   0.00750
O3   0.27170   0.16396   0.04220   0.00790
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
Li1 0.01900 0.02200 0.01800 -0.00200 -0.00600 -0.00400
In2 0.00651 0.00460 0.00373 0.00013 0.00000 0.00000
Si 0.00650 0.00420 0.00440 -0.00030 0.00000 0.00000
O1 0.00740 0.00580 0.00770 -0.00100 0.00000 0.00000
O2 0.00770 0.00420 0.01070 -0.00120 0.00000 0.00000
O3 0.00850 0.00950 0.00570 0.00180 0.00080 0.00120