#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9000836.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_9000836
_chemical_name 'Dixenite'
loop_
_publ_author_name
'Araki T'
'Moore P B'
_journal_name_full "American Mineralogist"
_journal_volume 66
_journal_year 1981
_journal_page_first 1263
_journal_page_last 1273
_publ_section_title
;
 Dixenite, CuMn14Fe(OH)6(AsO3)5(SiO4)2(AsO4): Metallic [As4Cu] clusters
 in an oxide matrix
;
_chemical_formula_sum 'Mn12.9 Mg.1 Fe Cu.843 Si1.7 As6.3 O33 H6'
_cell_length_a 8.233
_cell_length_b 8.233
_cell_length_c 37.499
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 2201.236
_symmetry_space_group_name_H-M 'R 3'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '2/3+x,1/3+y,1/3+z'
  '1/3+x,2/3+y,2/3+z'
  '-y,x-y,z'
  '2/3-y,1/3+x-y,1/3+z'
  '1/3-y,2/3+x-y,2/3+z'
  '-x+y,-x,z'
  '2/3-x+y,1/3-x,1/3+z'
  '1/3-x+y,2/3-x,2/3+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mn2   0.33333   0.66667   0.00622   0.90000
Mg1   0.33333   0.66667   0.00622   0.10000
Fe1   0.00000   0.00000   0.25749   1.00000
Mn3   0.04080   0.26170   0.06782   1.00000
Mn4   0.41580   0.33590   0.12987   1.00000
Mn5   0.10890   0.39760   0.19230   1.00000
Mn6   0.42260   0.31540   0.26133   1.00000
Cu1   0.33333   0.66667   0.31292   0.65100
Cu2   0.33333   0.66667   0.00300   0.19200
Si1   0.66667   0.33333   0.18792   0.86000
As1   0.66667   0.33333   0.18792   0.14000
Si2   0.00000   0.00000   0.14620   0.60000
As2   0.00000   0.00000   0.14620   0.40000
Si3   0.33333   0.66667   0.11357   0.24000
As3   0.33333   0.66667   0.11357   0.76000
As4   0.66667   0.33333   0.06992   1.00000
As5   0.33333   0.66667   0.25062   1.00000
As6   0.08854   0.37369   0.31589   1.00000
O1   0.00000   0.00000   0.10190   1.00000
O2   0.33333   0.66667   0.15840   1.00000
O3   0.66667   0.33333   0.23110   1.00000
O4   0.08990   0.44440   0.02120   1.00000
O5   0.46980   0.16590   0.09490   1.00000
O6   0.28370   0.45450   0.09880   1.00000
O7   0.16550   0.20810   0.16170   1.00000
O8   0.51940   0.12770   0.17070   1.00000
O9   0.36900   0.50100   0.22770   1.00000
O10   0.14680   0.22720   0.29050   1.00000
O11   0.46080   0.11850   0.29560   1.00000
O-H12   0.21400   0.17910   0.03750   1.00000
O-H13   0.23520   0.08140   0.22710   1.00000