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#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009600.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_9009600
_chemical_name 'Wohlerite'
loop_
_publ_author_name
'Mellini M'
'Merlino S'
_journal_name_full "Tschermaks Mineralogische und Petrographische Mitteilungen"
_journal_volume 26
_journal_year 1979
_journal_page_first 109
_journal_page_last 123
_publ_section_title
;
 Refinement of the crystal structure of wohlerite
 Locality: Brevig, Norway
;
_chemical_formula_sum 'Na2 Ca4 Zr Nb Si4 O17 F'
_cell_length_a 10.823
_cell_length_b 10.244
_cell_length_c 7.290
_cell_angle_alpha 90
_cell_angle_beta 109.00
_cell_angle_gamma 90
_cell_volume 764.214
_symmetry_space_group_name_H-M 'P 1 21 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,1/2+y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_Uiso_or_equiv
Na1   0.12210   0.06891   0.68654   0.01583
Na2   0.36673   0.91655   0.55120   0.01343
Ca1   0.34605   0.30037   0.55184   0.00988
Zr   0.34201   0.28972   0.05379   0.00532
Nb   0.13104   0.05243   0.19173   0.00937
Ca2   0.14570   0.68150   0.19979   0.00709
Ca3   0.36750   0.91284   0.05383   0.00925
Ca4   0.15345   0.68360   0.69983   0.00785
Si1   0.07971   0.37343   0.19749   0.00532
Si2   0.07238   0.36493   0.63666   0.00557
Si3   0.43941   0.61333   0.56312   0.00621
Si4   0.43303   0.61260   0.12460   0.00557
O1   0.00950   0.23640   0.12000   0.01039
O2  -0.01970   0.24130   0.61750   0.01039
O3   0.00560   0.50170   0.08510   0.01203
O4   0.01850   0.49940   0.69840   0.01178
O5   0.23220   0.37540   0.20780   0.01203
O6   0.22090   0.33630   0.77440   0.01254
O7   0.48920   0.47200   0.65050   0.01292
O8   0.45730   0.46440   0.07180   0.01153
O9   0.47460   0.23590   0.31950   0.01102
O10   0.46300   0.21650   0.91200   0.01418
O11   0.28650   0.63980   0.51540   0.01570
O12   0.28880   0.67000   0.02340   0.01279
O13   0.24490   0.11730   0.04350   0.01165
O14   0.22360   0.11830   0.43630   0.00975
F15   0.23930   0.88910   0.74350   0.01153
O16   0.21360   0.89270   0.22410   0.00975
O17   0.08670   0.39500   0.42280   0.01760
O18   0.52300   0.12400   0.64000   0.01393