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#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$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
_chemical_name '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)
 Note: Synthetic sample.
;
_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
_symmetry_space_group_name_H-M 'P 21 21 21'
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_Uiso_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