data_global
_amcsd_formula_title 'LiScSiO4'
loop_
_publ_author_name
'Hazen R M'
'Downs R T'
'Finger L W'
_journal_name_full 'American Mineralogist'
_journal_volume 81 
_journal_year 1996
_journal_page_first 327
_journal_page_last 334
_publ_section_title
;
 High-pressure crystal chemistry of LiScSiO4: An olivine with nearly isotropic
 compression
 Sample: #0, P = 0.0 GPa
;
_database_code_amcsd 0001777
_chemical_formula_sum 'Si Li Sc O4'
_cell_length_a 4.8168
_cell_length_b 10.4317
_cell_length_c 5.9650
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 299.726
_exptl_crystal_density_diffrn      3.191
_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
Si   0.43113   0.09111   0.25000
Li   0.00000   0.00000   0.00000
Sc   0.99230   0.27433   0.25000
O1   0.76314   0.10129   0.25000
O2   0.19541   0.44774   0.25000
O3   0.28213   0.16845   0.04006
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
Si 0.00570 0.00538 0.00518 -0.00019 0.00000 0.00000
Li 0.01622 0.02435 0.01436 -0.00254 0.00092 -0.00483
Sc 0.00622 0.00503 0.00479 0.00018 0.00000 0.00000
O1 0.00808 0.00782 0.00768 -0.00110 0.00000 0.00000
O2 0.00695 0.00723 0.00992 0.00005 0.00000 0.00000
O3 0.00941 0.00831 0.00576 0.00010 0.00080 0.00154