#------------------------------------------------------------------------------
#$Date: 2014-07-11 17:35:18 +0300 (Fri, 11 Jul 2014) $
#$Revision: 120071 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/00/15/1001582.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_1001582
_chemical_name_systematic
;
Yttrium strontium copper carbonate oxide (4/8/11/1/25)
;
_chemical_formula_structural       'Y4 Sr8 Cu11 (C O3) O25'
_chemical_formula_sum              'Cu11 O28 Sr8 Y4'
_publ_section_title
;
Ordered substitution of "CO~3~" groups for CuO~4~ square groups in the
"123" structure. The oxycarbonate Y~4~Sr~8~Cu~11~CO~3~O~25~, n=4 member
of the series Y~n~Sr~2n~Cu~3n-1~CO~3~O~7n-3~
;
loop_
_publ_author_name
  'Domenges, B'
  'Hervieu, M'
  'Raveau, B'
_journal_name_full                 'Physica C (Amsterdam) (152,1988-)'
_journal_coden_ASTM                PHYCE6
_journal_volume                    207
_journal_year                      1993
_journal_page_first                65
_journal_page_last                 78
_cell_length_a                     15.311
_cell_length_b                     3.851
_cell_length_c                     22.371
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       1319.1
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'B m 2 m'
_symmetry_Int_Tables_number        35
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,y,-z'
  '-x,y,z'
  'x,y,-z'
  '1/2+x,y,1/2+z'
  '1/2-x,y,1/2-z'
  '1/2-x,y,1/2+z'
  '1/2+x,y,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Y3+    3.000
  Sr2+   2.000
  Cu2+   2.180
  C4+    4.000
  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
  Y1    Y3+    8 f 0.125 0.5 0.74 1.  0 d
  Sr1   Sr2+   8 f 0.125 0.5 -0.0935 1.  0 d
  Sr2   Sr2+   8 f 0.3572 0.5 -0.0935 1.  0 d
  Cu1   Cu2+   4 e 0. 0. 0.819 1.  0 d
  Cu2   Cu2+   8 f 0.25 0. 0.819 1.  0 d
  Cu3   Cu2+   4 e 0.5 0. 0.8265 1.  0 d
  Cu4   Cu2+   2 a 0. 0. 0. 1.  0 d
  Cu5   Cu2+   4 d 0.25 0. 0. 1.  0 d
  C1    C4+    2 b 0.5 0. 0. 1.  0 d
  O1    O2-    8 f 0.125 0. 0.8075 1.  0 d
  O2    O2-    8 f 0.375 0. 0.827 1.  0 d
  O3    O2-    4 e 0. 0.5 0.8115 1.  0 d
  O4    O2-    8 f 0.25 0.5 0.8115 1.  0 d
  O5    O2-    4 e 0.5 0.5 0.828 1.  0 d
  O6    O2-    4 e 0. 0. -0.0825 1.  0 d
  O7    O2-    8 f 0.25 0. -0.0825 1.  0 d
  O8    O2-    4 d 0.5858 0. 0. 0.5  0 d
  O9    O2-    8 f 0.5435 0. -0.05 0.5  0 d
  O10   O2-    2 a 0. 0.5 0. 1.  0 d
  O11   O2-    4 d 0.25 0.5 0. 1.  0 d
_cod_database_code 1001582
_journal_paper_doi 10.1016/0921-4534(93)90424-O