data_global
_chemical_name_mineral 'Calcio-olivine'
loop_
_publ_author_name
'Udagawa S'
'Urabe K'
'Natsume M'
'Yano T'
_journal_name_full 'Cement and Concrete Research'
_journal_volume 10 
_journal_year 1980
_journal_page_first 139
_journal_page_last 144
_publ_section_title
;
 Refinement of the crystal structure of gamma-Ca2SiO4
;
_database_code_amcsd 0017745
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Ca2 Si O4'
_cell_length_a 5.081
_cell_length_b 11.224
_cell_length_c 6.778
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 386.544
_exptl_crystal_density_diffrn      2.960
_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
Cal   0.00000   0.00000   0.00000
Ca2  -0.00990   0.28090   0.25000
Si   0.42750   0.09660   0.25000
O1  -0.25430   0.09370   0.25000
O2   0.29740  -0.03840   0.25000
O3   0.29850   0.16240   0.05750
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
Cal 0.00706 0.01085 0.00372 -0.00116 -0.00052 -0.00154
Ca2 0.00772 0.00702 0.00465 0.00087 0.00000 0.00000
Si 0.00392 0.00766 0.00396 0.00578 0.00000 0.00000
O1 0.00654 0.01213 0.00791 -0.00289 0.00000 0.00000
O2 0.00850 0.00638 0.00954 0.00116 0.00000 0.00000
O3 0.00798 0.01021 0.00535 0.00087 -0.00140 0.00039