data_global
_amcsd_formula_title 'CaCoSi2O6'
loop_
_publ_author_name
'Ghose S'
'Wan C'
'Okamura F P'
_journal_name_full 'American Mineralogist'
_journal_volume 72 
_journal_year 1987
_journal_page_first 375
_journal_page_last 381
_publ_section_title
;
 Crystal structures of CaNiSi2O6 and CaCoSi2O6 and some crystal-chemical
 relations in C2/c clinopyroxenes
;
_database_code_amcsd 0001074
_chemical_formula_sum 'Co Ca Si2 O6'
_cell_length_a 9.806
_cell_length_b 8.950
_cell_length_c 5.243
_cell_angle_alpha 90
_cell_angle_beta 105.45
_cell_angle_gamma 90
_cell_volume 443.517
_exptl_crystal_density_diffrn      3.762
_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
Co1   0.00000   0.90750   0.25000
Ca2   0.00000   0.29907   0.25000
SiT   0.28727   0.09262   0.23080
O1   0.11760   0.08810   0.14730
O2   0.36130   0.24870   0.32220
O3   0.35080   0.01920  -0.00610
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
Co1 0.00615 0.00576 0.00537 0.00000 0.00109 0.00000
Ca2 0.01027 0.00852 0.00713 0.00000 0.00000 0.00000
SiT 0.00511 0.00523 0.00515 -0.00030 0.00138 -0.00021
O1 0.00579 0.00848 0.00750 0.00004 0.00169 0.00039
O2 0.01154 0.00653 0.00994 -0.00279 0.00254 -0.00060
O3 0.00706 0.00917 0.00696 -0.00013 0.00218 -0.00266