data_global
_chemical_name_mineral 'Teineite'
loop_
_publ_author_name
'Effenberger H'
_journal_name_full 'Tschermaks Mineralogische und Petrographische Mitteilungen'
_journal_volume 24 
_journal_year 1977
_journal_page_first 287
_journal_page_last 298
_publ_section_title
;
 Verfeinerung der Kristallstruktur von synthetischem Teineit CuTeO3*2(H2O)
;
_database_code_amcsd 0015667
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Cu Te O5 H4'
_cell_length_a 6.634
_cell_length_b 9.597
_cell_length_c 7.428
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 472.915
_exptl_crystal_density_diffrn      3.865
_symmetry_space_group_name_H-M 'P 21 21 21'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,1/2+y,1/2-z'
  '1/2+x,1/2-y,-z'
  '1/2-x,-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Cu   0.53070   0.15600   0.20110   0.01026
Te   0.71060   0.38950   0.47380   0.00963
O1   0.24030   0.21250   0.74150   0.01646
O2   0.97920   0.38080   0.54340   0.00887
O3   0.27630   0.06480   0.13330   0.01140
Wat4   0.06470   0.28870   0.05010   0.01773
Wat5   0.28730   0.44770   0.32990   0.01646
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
Cu 0.00722 0.01039 0.01330 -0.00469 0.00241 -0.00329
Te 0.00861 0.00912 0.01127 0.00089 0.00063 -0.00013