#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009223.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_9009223
_chemical_name 'HgBa2CaCu2O6+delta'
loop_
_publ_author_name
'Finger L W'
'Hazen R M'
'Downs R T'
'Meng R L'
'Chu C W'
_journal_name_full "Physica C"
_journal_volume 226
_journal_year 1994
_journal_page_first 216
_journal_page_last 221
_publ_section_title
;
 Crystal chemistry of HgBa2CaCu2O8+d and HgBa2Ca2Cu3O8+d
 Single-crystal X-ray diffraction results
 Sample: Hg-1212 superconductor
;
_chemical_formula_sum 'Hg.87 Cu2.13 Ba2 Ca O6.64'
_cell_length_a 3.8564
_cell_length_b 3.8564
_cell_length_c 12.682
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 188.604
_symmetry_space_group_name_H-M 'P 4/m m m'
loop_
_symmetry_equiv_pos_as_xyz
  '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'
  '-x,y,z'
  'x,-y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_Uiso_or_equiv
Hg   0.00000   0.00000   0.00000   0.87000   0.01456
Cu   0.00000   0.00000   0.00000   0.13000   0.01456
Ba   0.50000   0.50000   0.22050   1.00000   0.00823
Ca   0.50000   0.50000   0.50000   1.00000   0.00621
Cu   0.00000   0.00000   0.37650   1.00000   0.00583
O1   0.00000   0.50000   0.37580   1.00000   0.00507
O2   0.00000   0.00000   0.15530   1.00000   0.01267
O3   0.50000   0.40000   0.00000   0.10000   0.01013
O4   0.50000   0.00000   0.00000   0.12000   0.01013