#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9001105.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_9001105
_chemical_name 'Lyonsite'
loop_
_publ_author_name
'Hughes J M'
'Starkey S J'
'Malinconico M L'
'Malinconico L L'
_journal_name_full "American Mineralogist"
_journal_volume 72
_journal_year 1987
_journal_page_first 1000
_journal_page_last 1005
_publ_section_title
;
 Lyonsite, Cu3Fe4(VO4)6, a new fumarolic sublimate from Izalco
 volcano, El Salvador: Descriptive mineralogy and crystal structure
;
_chemical_formula_sum 'Cu1.59 Fe2 V3 O12'
_cell_length_a 10.296
_cell_length_b 17.207
_cell_length_c 4.910
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 869.872
_symmetry_space_group_name_H-M 'P m c n'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2-x,y,z'
  '1/2+x,-y,-z'
  '1/2+x,1/2+y,1/2-z'
  '1/2-x,1/2-y,1/2+z'
  'x,1/2-y,1/2+z'
  '-x,1/2+y,1/2-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1   0.75000   0.74970   0.90800   0.59000
Cu2   0.25000   0.82189   0.21130   1.00000
Fe   0.42409   0.97289   0.24760   1.00000
V1   0.25000   0.05727  -0.22930   1.00000
V2   0.47160   0.84431   0.72080   1.00000
O1   0.61290   0.79590   0.65850   1.00000
O2   0.38590   0.87390   0.42450   1.00000
O3   0.25000   0.99400   0.05300   1.00000
O4   0.38490   0.03580   0.57470   1.00000
O5   0.50540   0.92720   0.91300   1.00000
O6   0.75000   0.65310   0.65600   1.00000
O7   0.37660   0.79170  -0.07380   1.00000