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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/9/9001571.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_9001571
_chemical_name 'Foitite'
loop_
_publ_author_name
'MacDonald D J'
'Hawthorne F C'
'Grice J D'
_journal_name_full "American Mineralogist"
_journal_volume 78
_journal_year 1993
_journal_page_first 1299
_journal_page_last 1303
_publ_section_title
;
 Foitite, _[Fe2(Al,Fe)]Al6Si6O18(BO3)3(OH)4, a new alkali-deficient
 tourmaline: Description and crystal structure
;
_chemical_formula_sum 'Na.25 Al6.891 Fe1.599 Mn.24 Mg.051 Li.219 Si6 B3 O31'
_cell_length_a 15.967
_cell_length_b 15.967
_cell_length_c 7.126
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1573.342
_symmetry_space_group_name_H-M 'R 3 m'
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'
  'x,x-y,z'
  '2/3+x,1/3+x-y,1/3+z'
  '1/3+x,2/3+x-y,2/3+z'
  '-y,-x,z'
  '2/3-y,1/3-x,1/3+z'
  '1/3-y,2/3-x,2/3+z'
  '-x+y,y,z'
  '2/3-x+y,1/3+y,1/3+z'
  '1/3-x+y,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
NaX   0.00000   0.00000   0.84080   0.25000
AlY   0.06223   0.93777   0.44850   0.33300
FeY   0.06223   0.93777   0.44850   0.49700
MnY   0.06223   0.93777   0.44850   0.08000
MgY   0.06223   0.93777   0.44850   0.01700
LiY   0.06223   0.93777   0.44850   0.07300
AlZ   0.26151   0.29827   0.46230   0.98200
FeZ   0.26151   0.29827   0.46230   0.01800
Si   0.18988   0.19193   0.07300   1.00000
B   0.88981   0.11019   0.61770   1.00000
O1   0.00000   0.00000   0.29310   1.00000
O2   0.93776   0.06224   0.58530   1.00000
O3   0.13427   0.86573   0.56490   1.00000
O4   0.90631   0.09369   0.00580   1.00000
O5   0.09452   0.90548  -0.01790   1.00000
O6   0.18786   0.19831   0.29770   1.00000
O7   0.28601   0.28512  -0.00660   1.00000
O8   0.27138   0.21049   0.63190   1.00000