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#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9007714.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_9007714
_chemical_name 'Kamiokite'
loop_
_publ_author_name
'Kanazawa Y'
'Sasaki A'
_journal_name_full "Acta Crystallographica, Section C"
_journal_volume 42
_journal_year 1986
_journal_page_first 9
_journal_page_last 11
_publ_section_title
;
 Structure of kamiokite
 Locality: Kamioka mine, Gifu Prefecture, Japan
 Note: anisoB's taken from ICSD
;
_chemical_formula_sum 'Fe2 Mo3 O8'
_cell_length_a 5.781
_cell_length_b 5.781
_cell_length_c 10.060
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 291.162
_symmetry_space_group_name_H-M 'P 63 m c'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-x+y,1/2+z'
  'x-y,x,1/2+z'
  '-y,-x,z'
  '-y,x-y,z'
  'x-y,-y,1/2+z'
  '-x,-y,1/2+z'
  'x,x-y,z'
  '-x+y,-x,z'
  'y,x,1/2+z'
  'y,-x+y,1/2+z'
  '-x+y,y,z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_Uiso_or_equiv
Fe1   0.33333   0.66667   0.95040   0.00684
Fe2   0.33333   0.66667   0.51200   0.00557
Mo   0.14603   0.29206   0.25000   0.00320
O1   0.00000   0.00000   0.39230   0.00519
O2   0.33333   0.66667   0.14860   0.00557
O3   0.48720   0.97440   0.36450   0.00621
O4   0.16650   0.33300   0.63520   0.00633