data_global _chemical_name_mineral 'Chkalovite' loop_ _publ_author_name 'Simonov M A' 'Egorov-Tismenko Y K' 'Belov N V' _journal_name_full 'Doklady Akademii Nauk SSSR' _journal_volume 225 _journal_year 1975 _journal_page_first 1319 _journal_page_last 1322 _publ_section_title ; Utochnennaya kristallicheskaya struktura chkalovita Na2Be[Si2O6] ; _database_code_amcsd 0012452 _chemical_formula_sum 'Na2 Be Si2 O6' _cell_length_a 21.129 _cell_length_b 6.881 _cell_length_c 21.1880 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 3080.495 _exptl_crystal_density_diffrn 2.680 _symmetry_space_group_name_H-M 'F d d 2' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2+y,1/2+z' '1/2+x,y,1/2+z' '1/2+x,1/2+y,z' '1/4+x,1/4-y,1/4+z' '1/4+x,3/4-y,3/4+z' '3/4+x,1/4-y,3/4+z' '3/4+x,3/4-y,1/4+z' '1/4-x,1/4+y,1/4+z' '1/4-x,3/4+y,3/4+z' '3/4-x,1/4+y,3/4+z' '3/4-x,3/4+y,1/4+z' '-x,1/2-y,1/2+z' '-x,-y,+z' '1/2-x,1/2-y,+z' '1/2-x,-y,1/2+z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Na1 0.00000 0.00000 0.51160 0.01317 Na2 0.00000 0.00000 0.14020 0.01203 Na3 0.17320 0.00470 0.03060 0.01102 Na4 0.15820 0.01120 0.66460 0.00937 Be1 0.16850 0.01800 0.82590 0.00494 Be2 0.00000 0.00000 0.36490 0.00671 Si1 0.00000 0.00000 0.00000 0.00203 Si2 0.00000 0.50000 0.16010 0.00177 Si3 0.15000 0.01240 0.17540 0.00190 Si4 0.18370 0.50680 0.01180 0.00190 O1 0.01430 0.18860 0.70760 0.00646 O2 0.11110 0.08520 0.11540 0.00633 O3 0.18900 0.20140 0.20380 0.00671 O4 0.15090 0.20500 0.48160 0.00608 O5 0.22260 0.06970 0.57280 0.00532 O6 0.18830 0.19970 0.87030 0.00532 O7 0.11670 0.08430 0.77130 0.00519 O8 0.01790 0.18830 0.04060 0.00481 O9 0.05460 0.08080 0.41280 0.00519