data_global
_chemical_name_mineral 'Thermonatrite'
loop_
_publ_author_name
'Wu K K'
'Brown I D'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 31 
_journal_year 1975
_journal_page_first 890
_journal_page_last 892
_publ_section_title
;
 A neutron diffraction study of Na2CO3*H2O
;
_database_code_amcsd 0009532
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Na2 C O4 H2'
_cell_length_a 6.472
_cell_length_b 10.724
_cell_length_c 5.259
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 365.005
_exptl_crystal_density_diffrn      2.257
_symmetry_space_group_name_H-M 'P 21 a b'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2+y,-z'
  '1/2+x,1/2-y,z'
  '1/2+x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Na1   0.00000   0.19320   0.13920
Na2   0.06430   0.00120  -0.37820
C  -0.21450   0.25460   0.60240
O1  -0.20100   0.13890   0.54660
O2  -0.20330   0.33660   0.42660
O3  -0.23980   0.28830  -0.16500
O4   0.03220  -0.02960   0.06920
H1   0.14640  -0.06620   0.16110
H2  -0.08050  -0.08990   0.10000
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
Na1 0.01420 0.01900 0.01070 0.00040 0.00110 -0.00010
Na2 0.01560 0.01390 0.02180 0.00360 -0.00150 -0.00180
C 0.00520 0.00890 0.01250 -0.00110 -0.00060 -0.00080
O1 0.01500 0.00840 0.03160 0.00050 -0.00450 -0.00460
O2 0.01860 0.01790 0.01440 -0.00020 -0.00120 0.00270
O3 0.01640 0.02670 0.01220 -0.00450 0.00090 -0.00260
O4 0.01890 0.01920 0.02150 -0.00090 -0.00120 0.00460
H1 0.02530 0.03830 0.03960 0.00620 -0.00380 0.00300
H2 0.02680 0.02800 0.02620 0.00250 0.00380 -0.00200