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