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#$Date: 2010-01-30 14:59:17 +0100 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/1/1001652.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_1001652
_chemical_name_systematic
;
Mercury cerium strontium lanthanum copper oxide (0.4/0.5/1.4/1.6/1.1/5)
;
_chemical_formula_structural       '(Hg0.4 Cu0.1) Ce0.5 (La0.6 Sr1.4) Cu O5'
_chemical_formula_sum            'Ce0.5 Cu1.1 Hg0.4 La0.6 O5 Sr1.4'
_[local]_cod_chemical_formula_sum_orig 'Ce.5 Cu1.1 Hg.4 La.6 O5 Sr1.4'
_publ_section_title
;
A new "1201" mercury-based cuprate with Hg Ce mixed layers: the oxide
Hg0.4 Ce0.5 Cu0.1 Sr2-x Lax Cu O4+d
;
loop_
_publ_author_name
  'Maignan, A'
  'Martin, C'
  'Michel, C'
  'Hervieu, M'
  'Raveau, B'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    116
_journal_year                      1995
_journal_page_first                347
_journal_page_last                 354
_cell_length_a                     3.7352(2)
_cell_length_b                     7.5749(3)
_cell_length_c                     17.9657(7)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       508.3
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'A m m m'
_symmetry_Int_Tables_number        65
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,-y,-z'
  '-x,-y,z'
  '-x,y,-z'
  '-x,-y,-z'
  '-x,y,z'
  'x,y,-z'
  'x,-y,z'
  'x,1/2+y,1/2+z'
  'x,1/2-y,1/2-z'
  '-x,1/2-y,1/2+z'
  '-x,1/2+y,1/2-z'
  '-x,1/2-y,1/2-z'
  '-x,1/2+y,1/2+z'
  'x,1/2+y,1/2-z'
  'x,1/2-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Hg2+   2.000
  Cu2+   2.363
  Ce4+   4.000
  La3+   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
  Hg1   Hg2+   2 a 0. 0. 0. 0.8  0 d
  Cu1   Cu2+   2 a 0. 0. 0. 0.2  0 d
  Ce1   Ce4+   2 b 0. 0.5 0. 1.  0 d
  La1   La3+   8 q 0.5 0.25 0.1477(1) 0.3  0 d
  Sr1   Sr2+   8 q 0.5 0.25 0.1477(1) 0.7  0 d
  Cu2   Cu2+   4 i 0. 0. 0.25 1.  0 d
  O1    O2-    4 i 0. 0. 0.1124(8) 1.  0 d
  O2    O2-    4 i 0. 0. 0.6124(8) 1.  0 d
  O3    O2-    4 j 0.5 0. 0.25 1.  0 d
  O4    O2-    4 e 0. 0.25 0.25 1.  0 d
  O5    O2-    4 h 0.5 0.340(3) 0. 1.  0 d
_refine_ls_R_factor_all            0.08
_cod_database_code 1001652