data_global
_chemical_name_mineral 'Calcio-olivine'
loop_
_publ_author_name
'Gobechiya E R'
'Yamnova N A'
'Zadov A E'
'Gazeev V M'
_journal_name_full 'Crystallography Reports'
_journal_volume 53 
_journal_year 2008
_journal_page_first 404
_journal_page_last 408
_publ_section_title
;
 Calcio-olivine gamma-Ca2SiO4: I. Rietveld refinement of the crystal structure
;
_database_code_amcsd 0012409
_chemical_compound_source 'Lakargi Mountain, North Caucasus, Kabardino-Balkaria, Russia'
_chemical_formula_sum 'Ca2 Si O4'
_cell_length_a 5.07389
_cell_length_b 11.21128
_cell_length_c 6.75340
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 384.166
_exptl_crystal_density_diffrn      2.978
_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
_atom_site_U_iso_or_equiv
Cal   0.00000   0.00000   0.00000   0.04939
Ca2   0.98900   0.27960   0.25000   0.04813
Si   0.42970   0.09910   0.25000   0.04306
O1   0.74100   0.09020   0.25000   0.04559
O2   0.29500   0.96190   0.25000   0.02153
O3   0.30000   0.16040   0.05960   0.03293