data_global
_chemical_name_mineral 'Larnite'
loop_
_publ_author_name
'Yamnova N A'
'Zubkova N V'
'Eremin N N'
'Zadov A E'
'Gazeev V M'
_journal_name_full 'Crystallography Reports'
_journal_volume 56 
_journal_year 2011
_journal_page_first 210
_journal_page_last 220
_publ_section_title
;
 Crystal structure of larnite beta-Ca2SiO4 and specific features
 of polymorphic transitions in dicalcium orthosilicate
;
_database_code_amcsd 0020214
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Ca2 Si O4'
_cell_length_a 5.5051
_cell_length_b 6.7551
_cell_length_c 9.3108
_cell_angle_alpha 90
_cell_angle_beta 94.513
_cell_angle_gamma 90
_cell_volume 345.172
_exptl_crystal_density_diffrn      3.314
_symmetry_space_group_name_H-M 'P 1 21/n 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-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
Ca1   0.22070  -0.00240   0.70200   0.00900
Ca2   0.22730   0.34260   0.43030   0.01080
Si   0.23280   0.28130   0.08160   0.00700
O1   0.28280   0.51210   0.06000   0.01060
O2   0.02120   0.24810   0.19190   0.01140
O3   0.48670   0.16830   0.13810   0.01100
O4   0.15610   0.17120  -0.07250   0.01120