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