#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1001692.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_1001692
_chemical_name_systematic
;
Mercury vanadium strontium copper carbonate oxide (0.6/0.4/4/2/1/6.6)
;
_chemical_formula_structural       'Hg0.57 V0.43 Sr4 Cu2 (C O3) O6.6'
_chemical_formula_sum              'Cu2 Hg.57 O9.6 Sr4 V.43'
_publ_section_title
;
Stabilisation of three new oxycarbonates by V and Cr substitutions. The
superconductors (Tl, M)1 Sr4 Cu2 (C O3) O7 (M= Cr, V) and (Hg, V)1 Sr4
Cu2 (C O3) O6+z
;
loop_
_publ_author_name
  'Maignan, A'
  'Pelloquin, D'
  'Malo, S'
  'Michel, C'
  'Hervieu, M'
  'Raveau, B'
_journal_name_full                 'Physica C (Amsterdam) (152,1988-)'
_journal_coden_ASTM                PHYCE6
_journal_volume                    249
_journal_year                      1995
_journal_page_first                220
_journal_page_last                 233
_cell_length_a                     3.8505(1)
_cell_length_b                     3.8505(1)
_cell_length_c                     16.23999(100)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       240.8
_cell_formula_units_Z              1
_symmetry_space_group_name_H-M     'P 4/m m m'
_symmetry_Int_Tables_number        123
_symmetry_cell_setting             tetragonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,z'
  '-x,y,z'
  'x,-y,z'
  '-y,x,z'
  'y,-x,z'
  'y,x,z'
  '-y,-x,z'
  '-x,-y,-z'
  'x,y,-z'
  'x,-y,-z'
  '-x,y,-z'
  'y,-x,-z'
  '-y,x,-z'
  '-y,-x,-z'
  'y,x,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Hg2+   2.000
  V5+    5.000
  Sr2+   2.000
  Cu2+   2.000
  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
  Hg1   Hg2+   1 a 0. 0. 0. 0.57(1)  0 d
  V1    V5+    1 a 0. 0. 0. 0.43(1)  0 d
  Sr1   Sr2+   2 h 0.5 0.5 0.1568(3) 1.  0 d
  Sr2   Sr2+   2 h 0.5 0.5 0.3754(3) 1.  0 d
  Cu1   Cu2+   2 g 0. 0. 0.2656(3) 1.  0 d
  C1    C4+    1 b 0. 0. 0.5 1.  0 d
  O1    O2-    1 c 0.5 0.5 0. 0.6  0 d
  O2    O2-    2 g 0. 0. 0.1169(3) 1.  0 d
  O3    O2-    2 g 0. 0. 0.4166(3) 1.  0 d
  O4    O2-    4 m 0.675 0. 0.5 0.25  0 d
  O5    O2-    4 i 0.5 0. 0.2798(3) 1.  0 d
_refine_ls_R_factor_all            0.104