data_global _chemical_name_mineral 'Urea' loop_ _publ_author_name 'Guth H' 'Heger G' 'Klein S' 'Treutmann W' 'Scheringer C' _journal_name_full 'Zeitschrift fur Kristallographie' _journal_volume 153 _journal_year 1980 _journal_page_first 237 _journal_page_last 254 _publ_section_title ; Strukturverfeinerung von harnstoff mit neutronenbeugungsdaten bei 60, 123, 293 K und X-N- und X-X (1s2)-synthesen bei etwa 100 K Sample: T = 293 K ; _database_code_amcsd 0010832 _chemical_formula_sum 'C O N2 H4' _cell_length_a 5.645 _cell_length_b 5.645 _cell_length_c 4.704 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 149.898 _exptl_crystal_density_diffrn 1.331 _symmetry_space_group_name_H-M 'P -4 21 m' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2-y,1/2-x,z' 'y,-x,-z' '1/2-x,1/2+y,-z' '-x,-y,z' '1/2+y,1/2+x,z' '-y,x,-z' '1/2+x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z C 0.00000 0.50000 0.33280 O 0.00000 0.50000 0.59760 N 0.14180 0.64180 0.18300 H1 0.25270 0.75270 0.28390 H2 0.13890 0.63890 -0.03060 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 C 0.03530 0.03530 0.01550 0.00060 0.00000 0.00000 O 0.05060 0.05060 0.01600 0.00380 0.00000 0.00000 N 0.06920 0.06920 0.02510 -0.03530 -0.00030 -0.00030 H1 0.08380 0.08380 0.04780 -0.04290 -0.00710 -0.00710 H2 0.08530 0.08530 0.02670 -0.02920 0.00410 0.00410