data_global
_chemical_name_mineral 'Ahlfeldite'
loop_
_publ_author_name
'Wildner M'
_journal_name_full 'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_volume 1990
_journal_year 1990
_journal_page_first 353
_journal_page_last 362
_publ_section_title
;
 Crystal structure refinements of synthetic cobaltomenite (CoSeO3*2H2O)
 and ahlfeldite (NiSeO3*2H2O)
;
_database_code_amcsd 14846
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Ni Se O5 H4'
_cell_length_a 6.441
_cell_length_b 8.746
_cell_length_c 7.522
_cell_angle_alpha 90.0
_cell_angle_beta 99.0
_cell_angle_gamma 90.0
_cell_volume 418.52
_exptl_crystal_density_diffrn  3.518
_symmetry_space_group_name_H-M 'P 1 21/n 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+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
Ni   0.35246  0.63816  0.51806  0.0192
Se   0.601  0.15084  0.83718  0.0179
O1   0.6704  0.3257  0.765  0.0223
O2   0.6718  0.5917  0.5328  0.0194
O3   0.4584  0.1974  0.9992  0.0239
Ow1   0.3831  0.5666  0.7911  0.0256
Ow2   0.421  0.8592  0.5775  0.0269
H11   0.481  0.502  0.789  0.0235
H12   0.4  0.648  0.897  0.0235
H21   0.349  0.898  0.652  0.0235
H22   0.568  0.877  0.62  0.0235
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
Ni   0.0144  0.027  0.0164  0.0008  0.0029  0.0
Se   0.0133  0.026  0.0144  0.0  0.0021  -0.0004
O1   0.0242  0.0243  0.0171  0.0005  -0.0011  0.0053
O2   0.0133  0.0215  0.0236  0.0018  0.0036  -0.0007
O3   0.0152  0.0353  0.0227  -0.0034  0.0072  -0.0048
Ow1   0.0233  0.0394  0.0151  0.0085  0.0062  -0.0018
Ow2   0.0257  0.0309  0.0229  0.0023  0.0004  -0.0056