#------------------------------------------------------------------------------
#$Date: 2009-11-18 16:56:34 +0200 (Wed, 18 Nov 2009) $
#$Revision: 858 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009593.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_9009593
loop_
_publ_author_name
'Effenberger H'
_publ_section_title
;
 Verfeinerung der kristallstruktur von synthetischem teineit CuTeO3*2(H2O)
 Note: Synthetic sample.
;
_journal_name_full
'Tschermaks Mineralogische und Petrographische Mitteilungen'
_journal_page_first              287
_journal_page_last               298
_journal_volume                  24
_journal_year                    1977
_chemical_formula_sum            'Cu H4 O5 Te'
_[local]_cod_chemical_formula_sum_orig 'Cu Te O5 H4'
_chemical_name_mineral           Teineite
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.634
_cell_length_b                   9.597
_cell_length_c                   7.428
_cell_volume                     472.915
loop_
_symmetry_equiv_pos_as_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