#------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/00/17/1001719.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_1001719
_chemical_name_systematic
;
Thallium strontium cobalt oxide (0.41/1/1/3.11)
;
_chemical_formula_structural       'Tl0.41 (Sr0.9 O)1.111 Co O2'
_chemical_formula_sum            'Co O3.111 Sr0.9999 Tl0.41'
_[local]_cod_chemical_formula_sum_orig 'Co O3.111 Sr.9999 Tl.41'
_publ_section_title
;
Evidence for the first misfit layer oxide Tl0.41 (Sr0.9 O)1.12 Co O2
;
loop_
_publ_author_name
  'Boullay, P'
  'Domenges, B'
  'Hervieu, M'
  'Groult, D'
  'Raveau, B'
_journal_name_full                 'Chemistry of Materials (1,1989-'
_journal_coden_ASTM                CMATEX
_journal_volume                    8
_journal_year                      1996
_journal_page_first                1482
_journal_page_last                 1489
_cell_length_a                     4.95
_cell_length_b                     25.18999
_cell_length_c                     11.66
_cell_angle_alpha                  90
_cell_angle_beta                   97.76
_cell_angle_gamma                  90
_cell_volume                       1440.6
_cell_formula_units_Z              18
_symmetry_space_group_name_H-M     'C 1 m 1'
_symmetry_Int_Tables_number        8
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,-y,z'
  '1/2+x,1/2+y,z'
  '1/2+x,1/2-y,z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Sr2+   2.000
  Co4+   3.820
  Tl1+   1.000
  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
  Sr1   Sr2+   2 a 0.025 0. 0.89 0.9  0 d
  Sr2   Sr2+   4 b 0.025 0.2 0.89 0.9  0 d
  Sr3   Sr2+   4 b 0.025 0.4 0.89 0.9  0 d
  Sr4   Sr2+   2 a 0.025 0.5 0.11 0.9  0 d
  Sr5   Sr2+   4 b 0.025 0.7 0.11 0.9  0 d
  Sr6   Sr2+   4 b 0.025 0.9 0.11 0.9  0 d
  Co1   Co4+   2 a 0. 0. 0.5 1.  0 d
  Co2   Co4+   4 b 0. 0.111 0.5 1.  0 d
  Co3   Co4+   4 b 0. 0.222 0.5 1.  0 d
  Co4   Co4+   4 b 0. 0.333 0.5 1.  0 d
  Co5   Co4+   4 b 0. 0.444 0.5 1.  0 d
  Tl1   Tl1+   2 a 0.4 0. 0.71 0.615  0 d
  Tl2   Tl1+   4 b 0.4 0.222 0.71 0.615  0 d
  Tl3   Tl1+   2 a 0.45 0.5 0.28 0.615  0 d
  Tl4   Tl1+   4 b 0.45 0.7225 0.28 0.615  0 d
  O1    O2-    2 a 0.02 0. 0.11 1.  0 d
  O2    O2-    4 b 0.02 0.2 0.11 1.  0 d
  O3    O2-    4 b 0.02 0.4 0.11 1.  0 d
  O4    O2-    2 a 0.02 0.5 0.89 1.  0 d
  O5    O2-    4 b 0.02 0.7 0.89 1.  0 d
  O6    O2-    4 b 0.02 0.9 0.89 1.  0 d
  O7    O2-    2 a 0.3 0. 0.4 1.  0 d
  O8    O2-    4 b 0.3 0.111 0.4 1.  0 d
  O9    O2-    4 b 0.3 0.222 0.4 1.  0 d
  O10   O2-    4 b 0.3 0.333 0.4 1.  0 d
  O11   O2-    4 b 0.3 0.444 0.4 1.  0 d
  O12   O2-    4 b 0.2 0.0555 0.6 1.  0 d
  O13   O2-    4 b 0.2 0.1665 0.6 1.  0 d
  O14   O2-    4 b 0.2 0.2775 0.6 1.  0 d
  O15   O2-    4 b 0.2 0.3885 0.6 1.  0 d
  O16   O2-    2 a 0.2 0.5 0.6 1.  0 d
_cod_database_code 1001719