#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2002269.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_2002269
_chemical_name_systematic          'Tetrastrontium dithallate'
_chemical_formula_structural       'Sr4 (Tl2 O7)'
_chemical_formula_sum              'O7 Sr4 Tl2'
_publ_section_title
;
Ueber ein neues Erdalkalioxothallat: Sr4 Tl2 O7
;
loop_
_publ_author_name
  'Schenck, R von'
  'Mueller-Buschbaum, Hk'
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_volume                    396
_journal_year                      1973
_journal_page_first                113
_journal_page_last                 122
_cell_length_a                     5.006
_cell_length_b                     5.006
_cell_length_c                     18.73
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       469.4
_cell_formula_units_Z              2
_exptl_crystal_density_meas        6.12
_symmetry_space_group_name_H-M     'P 42 n m'
_symmetry_Int_Tables_number        102
_symmetry_cell_setting             tetragonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2+z'
  'y,x,z'
  '-y,-x,z'
  '1/2+y,1/2-x,1/2+z'
  '1/2-y,1/2+x,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Tl3+   3.000
  Sr2+   2.000
  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
  Tl1   Tl3+   4 b 0. 0.5 0. 1.  0 d
  Sr1   Sr2+   2 a 0. 0. 0.1396 1.  0 d
  Sr2   Sr2+   2 a 0. 0. 0.355 1.  0 d
  Sr3   Sr2+   2 a 0. 0. 0.6394 1.  0 d
  Sr4   Sr2+   2 a 0. 0. 0.8654 1.  0 d
  O1    O2-    2 a 0. 0. 0. 1.  0 d
  O2    O2-    4 b 0. 0.5 0.113 1.  0 d
  O3    O2-    4 b 0. 0.5 0.387 1.  0 d
  O4    O2-    4 c 0.25 0.25 0.25 0.5  0 d
  O5    O2-    4 c 0.25 0.25 0.75 0.5  0 d