data_global _amcsd_formula_title 'CaZnGe2O6' loop_ _publ_author_name 'Redhammer G J' 'Roth G' _journal_name_full 'Acta Crystallographica, Section C' _journal_volume 61 _journal_year 2005 _journal_page_first i20 _journal_page_last i22 _publ_section_title ; A comparison of the clinopyroxene compounds CaZnSi2O6 and CaZnGe2O6 ; _database_code_amcsd 0010332 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Ca Zn Ge2 O6' _cell_length_a 10.1659 _cell_length_b 9.0096 _cell_length_c 5.4369 _cell_angle_alpha 90 _cell_angle_beta 105.181 _cell_angle_gamma 90 _cell_volume 480.592 _exptl_crystal_density_diffrn 4.791 _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 _atom_site_U_iso_or_equiv Ca 0.00000 0.30391 0.25000 0.00883 Zn 0.50000 0.40829 0.25000 0.00854 Ge 0.28474 0.09791 0.22624 0.00586 O1 0.10940 0.09240 0.13550 0.00770 O2 0.36254 0.26160 0.34140 0.01100 O3 0.35821 0.02860 -0.01610 0.00910 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 0.00950 0.00840 0.00780 0.00000 0.00090 0.00000 Zn 0.00860 0.00930 0.00710 0.00000 0.00108 0.00000 Ge 0.00510 0.00670 0.00540 -0.00012 0.00073 -0.00014 O1 0.00580 0.00860 0.00870 -0.00050 0.00160 0.00010 O2 0.01350 0.00830 0.01070 -0.00500 0.00260 -0.00190 O3 0.00750 0.01240 0.00790 -0.00140 0.00300 -0.00330