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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/9/9004541.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_9004541
_chemical_name 'Foitite'
loop_
_publ_author_name
'Francis C A'
'Dyar M D'
'Williams M L'
'Hughes J M'
_journal_name_full "The Canadian Mineralogist"
_journal_volume 37
_journal_year 1999
_journal_page_first 1431
_journal_page_last 1438
_publ_section_title
;
 The occurrence and crystal structure of foitite from a tungsten-bearing vein
 at Copper Mountain, Taos County, New Mexico
 Note: y-coordinate of H3 changed to x/2.
 Locality: Copper Mountain, Taos County, New Mexico
;
_chemical_formula_sum 'Na.414 Ca.002 K.002 (Fe1.71 Al6.99 Mg.3) Si6 B2.88 H4 O30
_cell_length_a 15.973
_cell_length_b 15.973
_cell_length_c 7.137
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1576.955
_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
Na   0.00000   0.00000   0.25000   0.41400   0.02850
Ca   0.00000   0.00000   0.25000   0.00200   0.02850
K   0.00000   0.00000   0.25000   0.00200   0.02850
FeY   0.27106   0.54212   0.31604   0.55000   0.00845
AlY   0.27106   0.54212   0.31604   0.41000   0.00845
MgY   0.27106   0.54212   0.31604   0.04000   0.00845
AlZ   0.29835   0.26163   0.63370   0.96000   0.00664
FeZ   0.29835   0.26163   0.63370   0.01000   0.00664
MgZ   0.29835   0.26163   0.63370   0.03000   0.00664
Si   0.19193   0.18989   0.02340   1.00000   0.00616
B   0.11030   0.22060   0.47780   0.96000   0.00988
H3   0.27200   0.13600   0.40800   1.00000   0.01798
O1   0.00000   0.00000   0.80370   0.35000   0.03255
O-H1   0.00000   0.00000   0.80370   0.54000   0.03255
F1   0.00000   0.00000   0.80370   0.11000   0.03255
O2   0.06205   0.12410   0.51160   1.00000   0.01621
O3   0.26760   0.13380   0.53180   1.00000   0.01305
O4   0.09349   0.18698   0.09060   1.00000   0.01115
O5   0.18830   0.09415   0.11430   1.00000   0.01064
O6   0.19808   0.18743   0.79840   1.00000   0.00988
O7   0.28509   0.28589   0.10230   1.00000   0.00912
O8   0.21005   0.27082   0.46350   1.00000   0.01026