#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009836.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_9009836
_chemical_name 'Denningite'
loop_
_publ_author_name
'Miletich R'
_journal_name_full "Mineralogy and Petrology"
_journal_volume 48
_journal_year 1993
_journal_page_first 129
_journal_page_last 145
_publ_section_title
;
 Copper-substituted manganese-denningites,
 Mn(Mn1-xCux)(Te2O5)2(0<=x<=1): synthesis and crystal chemistry
 Locality: synthetic
 Sample: x = 0.33
;
_chemical_formula_sum 'Mn1.67 Cu.33 Te4 O10'
_cell_length_a 8.747
_cell_length_b 8.747
_cell_length_c 12.902
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 987.132
_symmetry_space_group_name_H-M 'P 42/n b c'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,-x,1/2+z'
  'y,x,1/2-z'
  '1/2+y,-x,1/2-z'
  '1/2-y,x,1/2+z'
  '1/2+x,-y,z'
  '1/2-x,y,-z'
  '1/2+x,1/2+y,-z'
  '1/2-x,1/2-y,z'
  '1/2+y,1/2+x,1/2+z'
  '1/2-y,1/2-x,1/2-z'
  '-y,1/2+x,1/2-z'
  'y,1/2-x,1/2+z'
  '-x,1/2+y,z'
  'x,1/2-y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mn   0.25000   0.25000   0.00000   1.00000
MnMe   0.25000   0.25000   0.25000   0.67000
CuMe   0.25000   0.25000   0.25000   0.33000
Te   0.03833   0.56501   0.38225   1.00000
O1   0.16970   0.10570   0.36540   1.00000
O2   0.02430   0.37590   0.45110   1.00000
O3   0.55250   0.55250   0.25000   1.00000