data_global
_chemical_name_mineral 'Ba2CoSi2O7'
loop_
_publ_author_name
'El Bali B'
'Zavalij P Y'
_journal_name_full 'Acta Crystallographica, Section E'
_journal_volume 59 
_journal_year 2003
_journal_page_first i59
_journal_page_last i61
_publ_section_title
;
 Tetragonal form of barium cobalt disilicate, Ba2CoSi2O7
;
_chemical_formula_sum 'Ba2 Co Si2 O7'
_cell_length_a 8.1709
_cell_length_b 8.1709
_cell_length_c 5.3374
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 356.344
_exptl_crystal_density_diffrn      4.676
_symmetry_space_group_name_H-M 'P -4 21 m'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2-y,1/2-x,z'
  'y,-x,-z'
  '1/2-x,1/2+y,-z'
  '-x,-y,z'
  '1/2+y,1/2+x,z'
  '-y,x,-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
Ba   0.33427   0.16573   0.00875   0.01252
Co   0.00000   0.00000   0.50000   0.00870
Si   0.63650   0.13650   0.54260   0.00600
O1   0.50000   0.00000   0.64210   0.00900
O2   0.80560   0.07800   0.68060   0.00940
O3   0.63930   0.13930   0.24450   0.01300
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
Ba 0.01256 0.01256 0.01240 0.00251 0.00097 -0.00097
Co 0.00680 0.00680 0.01260 0.00000 0.00000 0.00000
Si 0.00600 0.00600 0.00600 -0.00120 0.00060 0.00060
O1 0.01300 0.01300 0.00100 -0.00600 0.00000 0.00000
O2 0.00600 0.01100 0.01100 0.00160 0.00210 -0.00170
O3 0.01700 0.01700 0.00600 -0.00600 0.00170 0.00170

