data_global _chemical_name_mineral 'Teineite' loop_ _publ_author_name 'Effenberger H' _journal_name_full 'Tschermaks Mineralogische und Petrographische Mitteilungen' _journal_volume 24 _journal_year 1977 _journal_page_first 287 _journal_page_last 298 _publ_section_title ; Verfeinerung der Kristallstruktur von synthetischem Teineit CuTeO3*2(H2O) ; _database_code_amcsd 0015667 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Cu Te O5 H4' _cell_length_a 6.634 _cell_length_b 9.597 _cell_length_c 7.428 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 472.915 _exptl_crystal_density_diffrn 3.865 _symmetry_space_group_name_H-M 'P 21 21 21' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,1/2+y,1/2-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 Cu 0.53070 0.15600 0.20110 0.01026 Te 0.71060 0.38950 0.47380 0.00963 O1 0.24030 0.21250 0.74150 0.01646 O2 0.97920 0.38080 0.54340 0.00887 O3 0.27630 0.06480 0.13330 0.01140 Wat4 0.06470 0.28870 0.05010 0.01773 Wat5 0.28730 0.44770 0.32990 0.01646 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 Cu 0.00722 0.01039 0.01330 -0.00469 0.00241 -0.00329 Te 0.00861 0.00912 0.01127 0.00089 0.00063 -0.00013