data_global _chemical_name_mineral 'Titanite' loop_ _publ_author_name 'Hawthorne F C' 'Groat L A' 'Raudsepp M' 'Ball N A' 'Kimata M' 'Spike F D' 'Gaba R' 'Halden N M' 'Lumpkin G R' 'Ewing R C' 'Greegor R B' 'Lytle F W' 'Ercit T S' 'Rossman G R' 'Wicks F J' 'Ramik R A' 'Sherriff B L' 'Fleet M E' 'McCammon C A' _journal_name_full 'American Mineralogist' _journal_volume 76 _journal_year 1991 _journal_page_first 370 _journal_page_last 396 _publ_section_title ; Alpha-decay damage in titanite sample from Cardiff U Mine, Ontario, annealed at 1090 C ; _database_code_amcsd 0001360 _chemical_formula_sum 'Ca Ti Si O5' _cell_length_a 6.530 _cell_length_b 8.677 _cell_length_c 7.048 _cell_angle_alpha 90 _cell_angle_beta 113.91 _cell_angle_gamma 90 _cell_volume 365.075 _exptl_crystal_density_diffrn 3.567 _symmetry_space_group_name_H-M 'C 1 2/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-z' '-x,-y,-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Ca 0.00000 0.16690 0.75000 Ti 0.00000 0.50000 0.00000 Si 0.00000 0.18350 0.25000 O1 0.00000 0.57250 0.25000 O2 0.18770 0.06680 0.41150 O3 0.10340 0.29040 0.11860 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 Ca 0.00160 0.00010 0.01940 0.00000 -0.00330 0.00000 Ti 0.00390 0.00530 0.01440 -0.00010 0.00180 0.00490 Si 0.00230 0.00100 0.00240 0.00000 0.00160 0.00000 O1 0.00700 0.00180 0.00010 0.00000 0.00000 0.00000 O2 0.00070 0.00540 0.00650 -0.00090 0.00000 0.00100 O3 0.00320 0.00190 0.00590 0.00120 0.00230 0.00150