data_global _chemical_name_mineral 'Teepleite' loop_ _publ_author_name 'Effenberger H' _journal_name_full 'Acta Crystallographica, Section B' _journal_volume 38 _journal_year 1982 _journal_page_first 82 _journal_page_last 85 _publ_section_title ; Verfeinerung der kristallstruktur von synthetischem teepleit ; _database_code_amcsd 0009750 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Na2 Cl B O4 H4' _cell_length_a 7.260 _cell_length_b 7.260 _cell_length_c 4.847 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 255.474 _exptl_crystal_density_diffrn 2.083 _symmetry_space_group_name_H-M 'P 4/n m m' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2-y,1/2-x,z' '1/2+y,1/2+x,-z' '1/2+y,-x,-z' '1/2-y,x,z' 'x,1/2-y,z' '-x,1/2+y,-z' '1/2+x,1/2+y,-z' '1/2-x,1/2-y,z' 'y,x,z' '-y,-x,-z' '-y,1/2+x,-z' 'y,1/2-x,z' '1/2-x,y,z' '1/2+x,-y,-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 Na 0.00000 0.00000 0.50000 0.01596 Cl 0.25000 0.25000 0.73310 0.01343 B 0.75000 0.25000 0.00000 0.00975 O 0.25000 -0.08810 0.18570 0.01330 H 0.25000 0.00600 0.07200 0.00633 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 0.01602 0.01602 0.01583 -0.00240 -0.00071 -0.00071 Cl 0.01202 0.01202 0.01595 0.00000 0.00000 0.00000 B 0.01015 0.01015 0.00905 0.00000 0.00000 0.00000 O 0.01736 0.01015 0.01238 0.00000 0.00000 0.00000