data_global _chemical_name_mineral 'Gillespite' loop_ _publ_author_name 'Belsky H L' 'Rossman G R' 'Prewitt C T' 'Gasparik T' _journal_name_full 'American Mineralogist' _journal_volume 69 _journal_year 1984 _journal_page_first 771 _journal_page_last 776 _publ_section_title ; Crystal structure and optical spectroscopy (300 to 2200 nm) of CaCrSi4O10 ; _database_code_amcsd 0000954 _chemical_formula_sum 'Ca Cr Si4 O10' _cell_length_a 7.378 _cell_length_b 7.378 _cell_length_c 15.119 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 823.001 _exptl_crystal_density_diffrn 2.941 _symmetry_space_group_name_H-M 'P 4/n c c' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2-y,1/2-x,1/2+z' 'y,x,1/2-z' 'y,-x,-z' '1/2-y,1/2+x,z' 'x,-y,1/2+z' '1/2-x,1/2+y,1/2-z' '1/2+x,1/2+y,-z' '-x,-y,z' '1/2+y,1/2+x,1/2+z' '-y,-x,1/2-z' '-y,x,-z' '1/2+y,1/2-x,z' '-x,y,1/2+z' '1/2+x,1/2-y,1/2-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 0.00000 0.00000 Cr 0.00000 0.50000 0.07951 Si 0.25310 0.17208 0.14801 O1 0.20819 0.20819 0.25000 O2 0.45499 0.24829 0.12833 O3 0.10627 0.25049 0.08189 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 0.00847 0.00847 0.01065 0.00000 0.00000 0.00000 Cr 0.00472 0.00472 0.01471 0.00000 0.00000 0.00000 Si 0.00510 0.00521 0.00973 0.00025 0.00017 -0.00034 O1 0.02231 0.02231 0.02084 -0.00345 0.00384 -0.00384 O2 0.00463 0.01409 0.01841 -0.00185 -0.00085 0.00283 O3 0.00723 0.00609 0.02119 0.00135 -0.00333 -0.00028