data_global
_amcsd_formula_title 'Li2SeO4*H2O'
loop_
_publ_author_name
'Johnston M G'
'Harrison W T A'
_journal_name_full 'Acta Crystallographica, Section E'
_journal_volume 59 
_journal_year 2003
_journal_page_first i25
_journal_page_last i27
_publ_section_title
;
 Dilithium selenate hydrate, Li2SeO4*H2O
;
_database_code_amcsd 0010398
_chemical_formula_sum 'Li2 Se O5 H2'
_cell_length_a 5.5798
_cell_length_b 5.0284
_cell_length_c 8.4521
_cell_angle_alpha 90
_cell_angle_beta 107.634
_cell_angle_gamma 90
_cell_volume 226.001
_exptl_crystal_density_diffrn      2.569
_symmetry_space_group_name_H-M 'P 1 21 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,1/2+y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Li1   0.31490   0.60100   0.49820   0.01940
Li2   0.56180   0.58700   0.89730   0.02160
Se1   0.28578   0.10066   0.70808   0.01246
O1   0.32720  -0.22270   0.71090   0.02000
O2   0.39420   0.22930   0.56660   0.01980
O3   0.44470   0.22060   0.88870   0.01880
O4  -0.00810   0.17590   0.67160   0.02250
O5   0.90580   0.56200   0.89930   0.04270
H1   0.95940   0.47980   0.81060   0.09000
H2   0.99660   0.71860   0.93890   0.18000
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
Li1 0.02200 0.01500 0.02100 0.00400 0.00640 0.00100
Li2 0.02300 0.01800 0.02300 0.00000 0.00600 0.00100
Se1 0.01582 0.01037 0.01104 0.00020 0.00386 -0.00010
O1 0.03230 0.01080 0.01560 -0.00060 0.00510 -0.00100
O2 0.02770 0.01770 0.01840 0.00490 0.01380 0.00330
O3 0.02350 0.01630 0.01290 -0.00330 0.00020 -0.00040
O4 0.01570 0.02790 0.02330 0.00250 0.00490 -0.00500
O5 0.03250 0.04700 0.05700 -0.00530 0.02520 -0.01600