#------------------------------------------------------------------------------
#$Date: 2008-01-13 23:15:36 +0100 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/9/9009826.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_9009826
_chemical_name 'Hiortdahlite II'
loop_
_publ_author_name
'Merlino S'
'Perchiazzi N'
_journal_name_full "Mineralogy and Petrology"
_journal_volume 37
_journal_year 1987
_journal_page_first 25
_journal_page_last 35
_publ_section_title
;
 The crystal structure of hiortdahlite II
 Locality: Kipawa River, Canada
;
_chemical_formula_sum 'Na1.38 Ca4.74 Zr Y.88 Si4 O15.5 F2.5'
_cell_length_a 11.012
_cell_length_b 10.342
_cell_length_c 7.359
_cell_angle_alpha 89.92
_cell_angle_beta 109.21
_cell_angle_gamma 90.06
_cell_volume 791.421
_symmetry_space_group_name_H-M 'P -1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,-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
Na1   0.42170   0.37660   0.33710   0.56000   0.02647
CaNa1   0.42170   0.37660   0.33710   0.44000   0.02647
Na2   0.92030   0.12180   0.33160   0.50000   0.02799
CaNa2   0.92030   0.12180   0.33160   0.50000   0.02799
Zr   0.30020   0.09850   0.02510   1.00000   0.02533
Ca1   0.42690   0.37090   0.84250   1.00000   0.02115
Ca2   0.30390   0.09790   0.52670   1.00000   0.02533
Ca4   0.80300   0.39880   0.52640   1.00000   0.01545
Ca3   0.92970   0.12810   0.84570   0.80000   0.01938
YCa3   0.92970   0.12810   0.84570   0.20000   0.01938
Y   0.80530   0.40390   0.02720   0.68000   0.01900
NaY   0.80530   0.40390   0.02720   0.32000   0.01900
Si1   0.62270   0.17250   0.21840   1.00000   0.01849
Si2   0.62050   0.17450   0.65750   1.00000   0.01558
Si3   0.12650   0.31900   0.22230   1.00000   0.01672
Si4   0.12160   0.32100   0.65630   1.00000   0.01343
O1   0.62500   0.17060   0.44130   1.00000   0.07700
O2   0.73770   0.27330   0.22820   1.00000   0.03293
O3   0.74380   0.26120   0.76550   1.00000   0.04053
O4   0.65710   0.02920   0.17410   1.00000   0.03040
O5   0.64500   0.02950   0.73800   1.00000   0.04496
O6   0.47850   0.21330   0.09810   1.00000   0.03179
O7   0.48430   0.23400   0.63660   1.00000   0.03420
O8   0.13400   0.29870   0.44560   1.00000   0.06928
O9   0.24090   0.22720   0.21050   1.00000   0.02850
O10   0.23930   0.23250   0.78910   1.00000   0.03432
O11   0.15870   0.47000   0.20090   1.00000   0.03382
O12   0.14840   0.46580   0.70550   1.00000   0.05231
O13   0.98740   0.27020   0.09080   1.00000   0.03762
O14   0.98280   0.26880   0.64340   1.00000   0.03546
O15   0.11230   0.01570   0.94080   1.00000   0.02432
F1   0.61160   0.49490   0.93330   0.50000   0.02381
OF1   0.61160   0.49490   0.93330   0.50000   0.02381
F2   0.39130   0.50810   0.57610   1.00000   0.03382
F3   0.89060  -0.00050   0.58270   1.00000   0.03559