#------------------------------------------------------------------------------
#$Date: 2012-02-28 17:44:07 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35913 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/05/9010563.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9010563
loop_
_publ_author_name
'Francis, C. A.'
'Dyar, M. D.'
'Williams, M. L.'
'Hughes, J. M.'
_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
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1431
_journal_page_last               1438
_journal_volume                  37
_journal_year                    1999
_chemical_formula_sum
'Al6.99 B2.88 Ca0.002 F0.11 Fe1.71 H3.14 K0.002 Mg0.3 Na0.414 O30.89 Si6'
_chemical_name_mineral           Foitite
_space_group_IT_number           160
_symmetry_space_group_name_Hall  'R 3 -2"'
_symmetry_space_group_name_H-M   'R 3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   15.973
_cell_length_b                   15.973
_cell_length_c                   7.137
_cell_volume                     1576.955
_[local]_cod_data_source_file    05163.cif
_[local]_cod_data_source_block   global
_[local]_cod_cif_authors_sg_H-M  'R 3 m'
_[local]_cod_chemical_formula_sum_orig
'Na.414 Ca.002 K.002 (Fe1.71 Al6.99 Mg.3) Si6 B2.88 H3.14 O30.89 F.11'
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_U_iso_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
_cod_database_code 9010563