#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1001047.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_1001047
_chemical_name_systematic          'Trisodium zinc hexathorium fluoride'
_chemical_formula_structural       'Na3 Zn Th6 F29'
_chemical_formula_sum              'F29 Na3 Th6 Zn'
_publ_section_title
;
Fluorure complexe de thorium, sodium et zinc
;
loop_
_publ_author_name
  'Cousson, A'
  'Tabuteau, A'
  'Pages, M'
  'Gasperin, M'
_journal_name_full                 'Acta Crystallographica B (24,1968-38,1982)'
_journal_coden_ASTM                ACBCAR
_journal_volume                    35
_journal_year                      1979
_journal_page_first                2674
_journal_page_last                 2676
_cell_length_a                     10.116(2)
_cell_length_b                     10.116(2)
_cell_length_c                     13.255(2)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       1174.7
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P 3 2 1'
_symmetry_Int_Tables_number        150
_symmetry_cell_setting             trigonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,z'
  'y-x,-x,z'
  'y,x,-z'
  '-x,y-x,-z'
  'x-y,-y,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Th4+   4.000
  Zn2+   2.000
  Na1+   1.000
  F1-   -1.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  Th1   Th4+   6 g 0.4028(1) 0.0794(2) 0.1491(1) 1.  0 d
  Th2   Th4+   6 g 0.4007(1) 0.3235(2) 0.6484(1) 1.  0 d
  Zn1   Zn2+   1 a 0. 0. 0. 1.  0 d
  Zn2   Zn2+   1 b 0. 0. 0.5 1.  0 d
  Na1   Na1+   2 c 0. 0. 0.2624(15) 1.  0 d
  Na2   Na1+   2 d 0.3333 0.6667 0.0893(15) 1.  0 d
  Na3   Na1+   2 d 0.3333 0.6667 0.6012(16) 1.  0 d
  F1    F1-    6 g 0.1315(27) 0.4369(24) 0.0348(14) 1.  0 d
  F2    F1-    6 g 0.2040(26) 0.0898(29) 0.0927(17) 0.66  0 d
  F3    F1-    6 g 0.5228(18) 0.3404(18) 0.1178(12) 1.  0 d
  F4    F1-    6 g 0.1195(23) 0.5861(21) 0.2005(13) 1.  0 d
  F5    F1-    6 g 0.1229(22) 0.3166(23) 0.2231(12) 1.  0 d
  F6    F1-    6 g 0.5244(22) 0.1111(22) 0.3086(13) 1.  0 d
  F7    F1-    6 g 0.3142(24) 0.1933(23) 0.2652(12) 1.  0 d
  F8    F1-    6 g 0.1510(16) 0.4948(17) 0.3989(11) 1.  0 d
  F9    F1-    6 g 0.084(2) 0.8949(22) 0.4104(12) 1.  0 d
  F10   F1-    6 g 0.4433(24) 0.3134(22) 0.4661(14) 1.  0 d
_refine_ls_R_factor_all            0.052