data_global _amcsd_formula_title 'LiCrGe2O6' 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 0010349 _chemical_formula_sum 'Li Cr Ge2 O6' _cell_length_a 9.7989 _cell_length_b 8.7190 _cell_length_c 5.3410 _cell_angle_alpha 90 _cell_angle_beta 108.905 _cell_angle_gamma 90 _cell_volume 431.702 _exptl_crystal_density_diffrn 4.618 _symmetry_space_group_name_H-M 'P 1 21/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,1/2+z' '-x,1/2+y,1/2-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Li1 0.25710 0.48590 0.72100 0.01730 Cr1 0.25128 0.65992 0.21270 0.00447 Ge1A 0.04680 0.34443 0.27339 0.00566 Ge1B 0.55421 0.84164 0.22963 0.00545 O1A -0.14270 0.33250 0.17320 0.00600 O2A 0.11420 0.52590 0.28300 0.01240 O3A 0.11760 0.29060 0.60790 0.00910 O1B 0.36410 0.83210 0.10500 0.00710 O2B 0.63080 1.00720 0.38610 0.00870 O3B 0.61290 0.68910 0.45520 0.00810 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 Li1 0.01700 0.01400 0.02000 0.00100 0.00400 0.00000 Cr1 0.00520 0.00430 0.00400 -0.00009 0.00170 0.00018 Ge1A 0.00600 0.00590 0.00510 -0.00082 0.00172 -0.00021 Ge1B 0.00610 0.00560 0.00440 -0.00078 0.00129 -0.00029 O1A 0.00400 0.00760 0.00560 -0.00150 0.00050 -0.00010 O2A 0.01390 0.00900 0.01660 -0.00420 0.00810 -0.00210 O3A 0.01070 0.01150 0.00480 -0.00150 0.00200 0.00250 O1B 0.00680 0.00790 0.00590 -0.00210 0.00110 0.00060 O2B 0.01090 0.00860 0.00680 -0.00410 0.00330 -0.00170 O3B 0.00970 0.00870 0.00660 0.00270 0.00370 0.00370