data_global
_amcsd_formula_title 'LiCrSi2O6'
loop_
_publ_author_name
'Redhammer G J'
'Roth G'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 219 
_journal_year 2004
_journal_page_first 278
_journal_page_last 294
_publ_section_title
;
 Structural variation and crystal chemistry of LiMe3+Si2O6 clinopyroxenes
 Me3+ = Al, Ga, Cr, V, Fe, Sc, and In
 Sample: LiCr
 Sample: T = 335 K
;
_database_code_amcsd 0011111
_chemical_formula_sum 'Li Cr Si2 O6'
_cell_length_a 9.570
_cell_length_b 8.582
_cell_length_c 5.268
_cell_angle_alpha 90
_cell_angle_beta 110.18
_cell_angle_gamma 90
_cell_volume 406.100
_exptl_crystal_density_diffrn      3.453
_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   0.26560   0.25000   0.02350
Cr   0.00000   0.90861   0.25000   0.00940
Si   0.29812   0.09152   0.26190   0.00990
O1   0.11530   0.08460   0.14740   0.01090
O2   0.36760   0.26160   0.32410   0.01500
O3   0.35730  -0.00120   0.05130   0.01650