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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/9/9001517.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_9001517
_chemical_name 'Povondraite'
loop_
_publ_author_name
'Grice J D'
'Ercit T S'
'Hawthorne F C'
_journal_name_full "American Mineralogist"
_journal_volume 78
_journal_year 1993
_journal_page_first 433
_journal_page_last 436
_publ_section_title
;
 Povondraite, a redefinition of the tourmaline ferridravite
 Note: Atomic parameters updated by Grice on 11/20/2001.
;
_chemical_formula_sum 'Na Fe9 B3 Si6 O31 H1.998'
_cell_length_a 16.186
_cell_length_b 16.186
_cell_length_c 7.444
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1688.947
_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
_atom_site_Uiso_or_equiv
NaX   0.00000   0.00000   0.22770   1.00000 ?
FeY   0.12240   0.06120   0.64290   1.00000 ?
FeZ   0.29870   0.26270   0.61240   1.00000 ?
B   0.10970   0.21940   0.45580   1.00000 ?
Si   0.18920   0.18760   0.00000   1.00000 ?
O1   0.00000   0.00000   0.77180   1.00000 ?
O2   0.06100   0.12200   0.49050   1.00000 ?
O3   0.25780   0.12890   0.51230   1.00000 ?
O4   0.09240   0.18480   0.06920   1.00000 ?
O5   0.18260   0.09130   0.08660   1.00000 ?
O6   0.19220   0.18290   0.78380   1.00000 ?
O7   0.28110   0.28130   0.07540   1.00000 ?
O8   0.20700   0.26790   0.44200   1.00000 ?
H3   0.24110   0.12050   0.40270   0.66600   0.02000