#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009224.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_9009224
_chemical_name 'HgBa2Ca2Cu3O8+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-1223 superconductor
;
_chemical_formula_sum 'Hg.82 Cu3.18 Ba2 Ca2 O12.13'
_cell_length_a 3.842
_cell_length_b 3.842
_cell_length_c 15.832
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 233.696
_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   0.82000   0.02140
Cu   0.00000   0.00000   0.00000   0.18000   0.02140
Ba   0.50000   0.50000   0.17491   1.00000   0.00608
Ca   0.50000   0.50000   0.39758   1.00000   0.00342
Cu1   0.00000   0.00000   0.50000   1.00000   0.00253
Cu2   0.00000   0.00000   0.30068   1.00000   0.00241
O1   0.00000   0.50000   0.50000   1.00000   0.01672
O2   0.50000   0.00000   0.30600   1.00000   0.00583
O3   0.00000   0.00000   0.12280   1.00000   0.02178
O4   0.50000   0.36000   0.00000   1.00000   0.01013
O5   0.50000   0.50000   0.00000   0.13000   0.01013