#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/1/1011212.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_1011212
_chemical_name_systematic          'Calcium sodium titanium niobium oxide *'
_chemical_name_mineral             'Perovskite niobian'
_chemical_compound_source          'from Magnet Cove, Arkansas'
_chemical_formula_structural       '(Ca.7 Na.3) ((Ti.7 Nb.3) O3)'
_chemical_formula_sum              'Ca.7 Na.3 Nb.3 O3 Ti.7'
_publ_section_title
;
Die Kristallstruktur von Perowskit und verwandter Verbindungen
;
_publ_author_name                  'Barth, T'
_journal_name_full                 'Norsk Geologisk Tidsskrift'
_journal_coden_ASTM                NOGTAO
_journal_volume                    8
_journal_year                      1925
_journal_page_first                201
_journal_page_last                 216
_cell_length_a                     3.825
_cell_length_b                     3.825
_cell_length_c                     3.825
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       56.0
_cell_formula_units_Z              1
_symmetry_space_group_name_H-M     'P m -3 m'
_symmetry_Int_Tables_number        221
_symmetry_cell_setting             cubic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'y,z,x'
  'z,x,y'
  'x,z,y'
  'y,x,z'
  'z,y,x'
  'x,-y,-z'
  'y,-z,-x'
  'z,-x,-y'
  'x,-z,-y'
  'y,-x,-z'
  'z,-y,-x'
  '-x,y,-z'
  '-y,z,-x'
  '-z,x,-y'
  '-x,z,-y'
  '-y,x,-z'
  '-z,y,-x'
  '-x,-y,z'
  '-y,-z,x'
  '-z,-x,y'
  '-x,-z,y'
  '-y,-x,z'
  '-z,-y,x'
  '-x,-y,-z'
  '-y,-z,-x'
  '-z,-x,-y'
  '-x,-z,-y'
  '-y,-x,-z'
  '-z,-y,-x'
  '-x,y,z'
  '-y,z,x'
  '-z,x,y'
  '-x,z,y'
  '-y,x,z'
  '-z,y,x'
  'x,-y,z'
  'y,-z,x'
  'z,-x,y'
  'x,-z,y'
  'y,-x,z'
  'z,-y,x'
  'x,y,-z'
  'y,z,-x'
  'z,x,-y'
  'x,z,-y'
  'y,x,-z'
  'z,y,-x'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Ca2+   2.000
  Na1+   1.000
  Ti4+   4.000
  Nb5+   5.000
  O2-   -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
  Ca1   Ca2+   1 a 0. 0. 0. 0.7  0 d
  Na1   Na1+   1 a 0. 0. 0. 0.3  0 d
  Ti1   Ti4+   1 b 0.5 0.5 0.5 0.7  0 d
  Nb1   Nb5+   1 b 0.5 0.5 0.5 0.3  0 d
  O1    O2-    3 c 0.5 0.5 0. 1.  0 d