data_global _amcsd_formula_title 'Mn2GeO4-beta' loop_ _publ_author_name 'Morimoto N' 'Tokonami M' 'Koto K' 'Nakajima S' _journal_name_full 'American Mineralogist' _journal_volume 57 _journal_year 1972 _journal_page_first 62 _journal_page_last 75 _publ_section_title ; Crystal structures of the high pressure polymorphs of Mn2GeO4 ; _database_code_amcsd 270 _chemical_formula_sum 'Mn2 Ge O4' _cell_length_a 6.025 _cell_length_b 12.095 _cell_length_c 8.752 _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 90.0 _cell_volume 637.779 _exptl_crystal_density_diffrn 5.134 _symmetry_space_group_name_H-M 'I m m a' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,1/2+z' 'x,1/2-y,z' '1/2+x,-y,1/2+z' '-x,1/2+y,-z' '1/2-x,+y,1/2-z' '-x,y,z' '1/2-x,1/2+y,1/2+z' 'x,-y,-z' '1/2+x,1/2-y,1/2-z' 'x,1/2+y,-z' '1/2+x,+y,1/2-z' '-x,1/2-y,z' '1/2-x,-y,1/2+z' '-x,-y,-z' '1/2-x,1/2-y,1/2-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Mn1 0.0 0.0 0.0 Mn2 0.0 0.25 -0.0361 Mn3 0.25 0.1281 0.25 Ge 0.0 0.1192 0.6164 O1 0.0 0.25 0.2123 O2 0.0 0.25 0.7187 O3 0.0 -0.0091 0.2546 O4 0.2588 0.1223 -0.0034 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 Mn1 0.00828 0.00519 0.00854 0.0 0.0 -0.00161 Mn2 0.00828 0.00445 0.00776 0.0 0.0 0.0 Mn3 0.0057 0.00667 0.00893 0.0 -0.0008 0.0 Ge 0.00552 0.00445 0.00543 0.0 0.0 0.00536 O1 0.00221 0.00667 0.01979 0.0 0.0 0.0 O2 0.03273 0.01408 0.0031 0.0 0.0 0.0 O3 0.00257 0.01705 0.00776 0.0 0.0 0.00375 O4 0.01545 0.00963 0.00893 0.00222 -0.0008 -0.00054