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 = 123 K
;
_database_code_amcsd 0010833
_chemical_formula_sum 'C O N2 H4'
_cell_length_a 5.578
_cell_length_b 5.578
_cell_length_c 4.695
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 146.081
_exptl_crystal_density_diffrn      1.365
_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   0.32900
O   0.00000   0.50000   0.59700
N   0.14450   0.64450   0.17910
H1   0.25610   0.75610   0.28550
H2   0.14290   0.64290  -0.03700
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 0.01740 0.01740 0.01160 0.00080 0.00000 0.00000
O 0.02200 0.02200 0.01190 0.00200 0.00000 0.00000
N 0.03330 0.03330 0.01490 -0.01610 0.00020 0.00020
H1 0.04840 0.04840 0.03080 -0.02310 -0.00270 -0.00270
H2 0.04850 0.04850 0.01840 -0.01590 0.00250 0.00250