data_global _amcsd_formula_title 'NaCrGe2O6' loop_ _publ_author_name 'Redhammer G J' 'Roth G' 'Amthauer G' _journal_name_full 'Acta Crystallographica, Section C' _journal_volume 64 _journal_year 2008 _journal_page_first 97 _journal_page_last 102 _publ_section_title ; Chromium-based clinopyroxene-type germanates NaCrGe2O6 and LiCrGe2O6 at 298 K Note: pyroxene structure ; _database_code_amcsd 0010348 _chemical_formula_sum 'Na Cr Ge2 O6' _cell_length_a 9.9151 _cell_length_b 8.8441 _cell_length_c 5.4595 _cell_angle_alpha 90 _cell_angle_beta 107.548 _cell_angle_gamma 90 _cell_volume 456.466 _exptl_crystal_density_diffrn 4.601 _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 Na 0.50000 0.19760 0.75000 0.01480 Cr 0.50000 0.41226 0.25000 0.00588 Ge 0.29050 0.09627 0.22762 0.00649 O1 0.10550 0.08130 0.12840 0.00730 O2 0.35970 0.27380 0.30850 0.01110 O3 0.36290 0.01270 0.00690 0.01080 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 Na 0.01710 0.01100 0.01400 0.00000 0.00120 0.00000 Cr 0.00590 0.00530 0.00640 0.00000 0.00190 0.00000 Ge 0.00610 0.00640 0.00680 -0.00074 0.00184 -0.00032 O1 0.00590 0.00830 0.00720 -0.00090 0.00140 0.00010 O2 0.01160 0.00800 0.01400 -0.00410 0.00420 -0.00170 O3 0.00930 0.01370 0.00950 -0.00030 0.00310 -0.00410