#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1011229.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_1011229
_chemical_name_systematic
;
Sodium tetraberyllium catena-antimonate tetraoxide
;
_chemical_name_mineral             'Swedenborgite'
_chemical_compound_source          'from Langban, Sweden'
_chemical_formula_structural       'Na Be4 (Sb O3) O4'
_chemical_formula_sum              'Be4 Na O7 Sb'
_publ_section_title
;
On the structure and chemical composition of Swedenborgite
;
_publ_author_name                  'Aminoff, G'
_journal_name_full
;
Kunglia Svenska Vetenskaps Akademiens Handlingar
;
_journal_coden_ASTM                KSVHAO
_journal_volume                    11
_journal_year                      1933
_journal_page_first                1
_journal_page_last                 13
_cell_length_a                     5.42
_cell_length_b                     5.42
_cell_length_c                     8.8
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       223.9
_cell_formula_units_Z              2
_exptl_crystal_density_meas        4.29
_symmetry_space_group_name_H-M     'P 63 m c'
_symmetry_Int_Tables_number        186
_symmetry_cell_setting             hexagonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,z'
  'y-x,-x,z'
  '-y,-x,z'
  'y-x,y,z'
  'x,x-y,z'
  '-x,-y,1/2+z'
  'y,y-x,1/2+z'
  'x-y,x,1/2+z'
  'y,x,1/2+z'
  'x-y,-y,1/2+z'
  '-x,y-x,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  O2-   -2.000
  Sb5+   5.000
  Na1+   1.000
  Be2+   2.000
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
  O1    O2-    6 c 0.5 0.5 0. 1.  0 d
  O2    O2-    6 c 0.1667 0.3333 0.25 1.  0 d
  O3    O2-    2 a 0. 0. 0. 1.  0 d
  Sb1   Sb5+   2 b 0.3333 0.6667 0.125 1.  0 d
  Na1   Na1+   2 b 0.6667 0.3333 0.25 1.  0 d
  Be1   Be2+  12 d -1. -1. -1. 0.6667  0 dum