data_global
_chemical_name_mineral 'Natromolybdite'
loop_
_publ_author_name
'Capitelli F'
'Selim M D'
'Mukherjea K M'
_journal_name_full 'Asian Journal of Chemistry'
_journal_volume 18 
_journal_year 2006
_journal_page_first 2856
_journal_page_last 2860
_publ_section_title
;
 Synthesis and crystal structure determination of sodium molybdate dihydrate
;
_database_code_amcsd 0021217
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Na2 Mo O6 H4'
_cell_length_a 8.4780
_cell_length_b 10.5790
_cell_length_c 13.8300
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1240.396
_exptl_crystal_density_diffrn      2.591
_symmetry_space_group_name_H-M 'P b c a'
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,1/2+y,z'
  '1/2+x,1/2-y,-z'
  '1/2+x,y,1/2-z'
  '1/2-x,-y,1/2+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
Na1   0.24269   0.05067  -0.14798   0.02300
Na2   0.65690   0.49525  -0.08530   0.02280
Mo   0.51490   0.19824   0.02330   0.01433
O1   0.45070   0.17680  -0.09760   0.02150
O2   0.55660   0.36010   0.04170   0.01970
O3   0.37130   0.14880   0.10910   0.02250
O4   0.68680   0.10890   0.03890   0.02440
O5   0.22950   0.14120  -0.29890   0.02710
O6   0.03750  -0.09080  -0.19940   0.02980
H51   0.27600   0.20600  -0.31700   0.04000
H52   0.15300   0.14600  -0.32000   0.05000
H61   0.05900  -0.10400  -0.25200   0.03000
H62   0.04700  -0.15100  -0.18200   0.04000
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 0.02250 0.02520 0.02130 -0.00190 -0.00190 0.00220
Na2 0.02250 0.02150 0.02430 0.00210 0.00100 0.00130
Mo 0.01500 0.01290 0.01510 0.00000 0.00040 -0.00030
O1 0.02180 0.02440 0.01840 -0.00210 -0.00270 -0.00200
O2 0.02000 0.01520 0.02380 -0.00130 0.00020 -0.00130
O3 0.02280 0.02270 0.02210 -0.00510 0.00410 -0.00010
O4 0.02280 0.02170 0.02870 0.00680 -0.00140 0.00110
O5 0.02660 0.02970 0.02520 -0.00300 -0.00440 0.00640
O6 0.04070 0.02410 0.02450 -0.00090 0.00520 -0.00140