data_global
_chemical_name_mineral 'Trona'
loop_
_publ_author_name
'Choi C S'
'Mighell A D'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 38 
_journal_year 1982
_journal_page_first 2874
_journal_page_last 2876
_publ_section_title
;
 Neutron diffraction study of sodium sesquicarbonate dihydrate
 Note: H3 ordered model, this is least favoured
;
_database_code_amcsd 0009780
_chemical_formula_sum 'Na3 C2 O8 H5'
_cell_length_a 20.36
_cell_length_b 3.48
_cell_length_c 10.29
_cell_angle_alpha 90
_cell_angle_beta 106.48
_cell_angle_gamma 90
_cell_volume 699.124
_exptl_crystal_density_diffrn      2.147
_symmetry_space_group_name_H-M 'C 1 2/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Na1   0.00000   0.74786   0.25000
Na2   0.15059   0.16359   0.42612
C   0.09303   0.26524   0.10317
O1   0.15103   0.39845   0.10200
O2   0.05433   0.12980   0.98823
O3   0.07258   0.25364   0.20797
O4   0.21207   0.66563   0.35376
H1   0.19149   0.59393   0.25966
H2   0.25913   0.73060   0.36351
H3   0.00000   0.00000   0.00000
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 0.01854 0.01276 0.01322 0.00000 0.00703 0.00000
Na2 0.02433 0.01724 0.01356 -0.00289 0.00586 -0.00247
C 0.01101 0.01086 0.00582 0.00100 0.00234 0.00056
O1 0.01487 0.02307 0.01174 -0.00203 0.00488 0.00237
O2 0.01583 0.02326 0.00671 -0.00286 0.00264 -0.00291
O3 0.01641 0.01547 0.00769 -0.00162 0.00595 -0.00104
O4 0.02201 0.02348 0.01470 -0.00737 0.00771 -0.00480
H1 0.03418 0.03515 0.02358 -0.00434 0.00732 -0.00160
H2 0.02819 0.03896 0.03127 -0.00520 0.00800 -0.00064
H3 0.03572 0.03178 0.02067 0.00358 0.00732 -0.00092