data_global _chemical_name_mineral 'Gillespite' loop_ _publ_author_name 'Miletich R' 'Allan D R' 'Angel R J' _journal_name_full 'American Mineralogist' _journal_volume 82 _journal_year 1997 _journal_page_first 697 _journal_page_last 707 _publ_section_title ; The synthetic Cr2+ silicates BaCrSi4O10 and SrCrSi4O10: The missing links in the gillespite-type ABSi4O10 series CaCrSi4O10 ; _database_code_amcsd 0001913 _chemical_formula_sum 'Ca Cr Si4 O10' _cell_length_a 7.3772 _cell_length_b 7.3772 _cell_length_c 15.1231 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 823.046 _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' '1/2+y,1/2+x,1/2-z' '1/2+y,-x,-z' '1/2-y,x,z' 'x,1/2-y,1/2+z' '-x,1/2+y,1/2-z' '1/2+x,1/2+y,-z' '1/2-x,1/2-y,z' 'y,x,1/2+z' '-y,-x,1/2-z' '-y,1/2+x,-z' 'y,1/2-x,z' '1/2-x,y,1/2+z' '1/2+x,-y,1/2-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Ca 0.25000 0.75000 0.00000 Cr 0.25000 0.25000 0.07914 Si 0.50303 0.92233 0.14768 O1 0.45734 0.95734 0.25000 O2 0.70527 0.99877 0.12658 O3 0.35742 0.00147 0.08218 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 0.01425 0.01425 0.02850 0.00000 0.00000 0.00000 Cr 0.01081 0.01081 0.03198 0.00000 0.00000 0.00000 Si 0.01186 0.01166 0.02873 -0.00014 -0.00006 -0.00102 O1 0.03162 0.03162 0.02873 -0.00245 0.00441 -0.00441 O2 0.01067 0.02379 0.04217 -0.00262 0.00090 -0.00328 O3 0.01362 0.01329 0.03893 0.00163 -0.00068 0.00283