data_global _chemical_name_mineral 'Acetamide' loop_ _publ_author_name 'Denne W A' 'Small R W H' _journal_name_full 'Acta Crystallographica, Section B' _journal_volume 27 _journal_year 1971 _journal_page_first 1094 _journal_page_last 1098 _publ_section_title ; A refinement of the structure of rhombohedral acetamide ; _database_code_amcsd 0009394 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'C2 O N H5' _cell_length_a 11.526 _cell_length_b 11.526 _cell_length_c 13.589 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 1563.419 _exptl_crystal_density_diffrn 1.129 _symmetry_space_group_name_H-M 'R 3 c' loop_ _space_group_symop_operation_xyz 'x,y,z' '2/3+x,1/3+y,1/3+z' '1/3+x,2/3+y,2/3+z' 'x,x-y,1/2+z' '2/3+x,1/3+x-y,5/6+z' '1/3+x,2/3+x-y,1/6+z' '-y,-x,1/2+z' '2/3-y,1/3-x,5/6+z' '1/3-y,2/3-x,1/6+z' '-x+y,y,1/2+z' '2/3-x+y,1/3+y,5/6+z' '1/3-x+y,2/3+y,1/6+z' '-y,x-y,z' '2/3-y,1/3+x-y,1/3+z' '1/3-y,2/3+x-y,2/3+z' '-x+y,-x,z' '2/3-x+y,1/3-x,1/3+z' '1/3-x+y,2/3-x,2/3+z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z C1 0.47670 0.12550 0.03330 C2 0.34030 0.00060 0.03910 O 0.24170 -0.00390 -0.00140 N 0.33200 -0.10070 0.09090 H1 0.24400 -0.17000 0.09900 H2 0.40900 -0.10000 0.11700 H3 0.47000 0.20200 0.08600 H4 0.52700 0.08700 0.04000 H5 0.48200 0.18900 -0.02100 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 C1 0.04240 0.04795 0.07578 0.00909 0.00000 0.00206 C2 0.03735 0.04190 0.05052 0.01615 0.00069 -0.00687 O 0.04644 0.04442 0.07858 0.02070 -0.01237 0.00206 N 0.04391 0.04745 0.06549 0.01868 -0.00344 0.00618