data_global _chemical_name_mineral 'Teschemacherite' loop_ _publ_author_name 'Pertlik F' _journal_name_full 'Tschermaks Mineralogische und Petrographische Mitteilungen' _journal_volume 29 _journal_year 1981 _journal_page_first 67 _journal_page_last 74 _publ_section_title ; Verfeinerung der kristallstruktur des teschemacherits, (NH4)CO2(OH) ; _database_code_amcsd 0015683 _chemical_formula_sum 'N H5 C O3' _cell_length_a 7.255 _cell_length_b 10.709 _cell_length_c 8.746 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 679.510 _exptl_crystal_density_diffrn 1.546 _symmetry_space_group_name_H-M 'P c c n' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,1/2+z' '-x,1/2+y,1/2-z' '1/2-x,y,1/2+z' '1/2+x,-y,1/2-z' '1/2+x,1/2+y,-z' '1/2-x,1/2-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 N 0.24560 0.01200 0.41520 0.02964 H1 0.30000 0.05700 0.34900 0.01393 H2 0.65100 0.02800 0.12500 0.02280 H3 0.20700 0.05100 0.49800 0.01900 H4 0.82400 0.05100 0.05500 0.01393 C 0.00880 0.24700 0.15660 0.02280 O1 0.98510 0.19070 0.03250 0.03432 O2 0.96490 0.18120 0.28110 0.03407 O3 0.06770 0.35660 0.17110 0.03052 H5 0.98600 0.23000 0.36500 0.02153 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 N 0.03280 0.02440 0.03178 -0.00039 0.00096 -0.00190 C 0.02720 0.01859 0.02248 0.00354 0.00000 0.00190 O1 0.05306 0.02847 0.02209 -0.00512 0.00064 -0.00190 O2 0.05786 0.02266 0.02170 -0.00394 0.00354 0.00190 O3 0.04133 0.02092 0.02945 -0.00354 -0.00161 0.00190