#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2013056.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_2013056
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2002
_journal_volume  58
_journal_page_first  m596
_journal_page_last  m598
_publ_section_title
;
Lead tartrate from laboratory X-ray powder diffraction data
;
loop_
_publ_author_name
  'De Ridder, Dirk J. A.'
  'Goubitz, Kees'
  'Sonneveld, Ed J.'
  'Molleman, Wim'
  'Schenk, Henk'
_chemical_name_common  'Lead tartrate'
_chemical_formula_moiety  'Pb^2+^ , C4 H4 O6^2-^'
_chemical_formula_sum  'C4 H4 O6 Pb'
_chemical_formula_iupac  '[Pb (C4 H4 O6)]'
_chemical_formula_weight  355.27
_symmetry_cell_setting  orthorhombic
_symmetry_space_group_name_H-M  'P 21 21 21'
_symmetry_space_group_name_Hall  p_2ac_2ab
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
  1 +x,+y,+z
  2 +x+1/2,-y+1/2,-z
  3 -x,+y+1/2,-z+1/2
  4 -x+1/2,-y,+z+1/2
_cell_length_a  7.99482(3)
_cell_length_b  8.84525(4)
_cell_length_c  8.35318(4)
_cell_angle_alpha  90
_cell_angle_beta  90
_cell_angle_gamma  90
_cell_volume  590.705(4)
_cell_formula_units_Z  4
_cell_measurement_temperature  295
_exptl_crystal_density_diffrn  3.983
_diffrn_ambient_temperature  295
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_occupancy
_atom_site_type_symbol
  O1 -0.0771(15) 0.0988(13) 0.1293(14) 0.01 Uiso 1.0 O
  O2 0.1070(14) 0.1712(14) -0.0063(14) 0.01 Uiso 1.0 O
  O3 0.1588(11) -0.007(2) 0.3594(10) 0.01 Uiso 1.0 O
  H3O 0.22898 -0.02231 0.41589 0.01 Uiso 1.0 H
  O4 0.2189(14) 0.3176(13) 0.2999(14) 0.01 Uiso 1.0 O
  H4O 0.14152 0.26983 0.36637 0.01 Uiso 1.0 H
  O5 0.5808(13) 0.0761(12) 0.3292(14) 0.01 Uiso 1.0 O
  O6 0.4835(14) 0.2460(13) 0.4925(14) 0.01 Uiso 1.0 O
  C1 0.0809(17) 0.105(2) 0.1171(19) 0.01 Uiso 1.0 C
  C2 0.2161(15) 0.0544(13) 0.2153(16) 0.01 Uiso 1.0 C
  H2 0.28328 -0.02695 0.14311 0.01 Uiso 1.0 H
  C3 0.3282(18) 0.1926(16) 0.2515(14) 0.01 Uiso 1.0 C
  H3 0.36818 0.22372 0.14406 0.01 Uiso 1.0 H
  C4 0.480(2) 0.1875(18) 0.3470(18) 0.01 Uiso 1.0 C
  Pb -0.34155(8) 0.0007(3) -0.05454(9) 0.01 Uiso 1.0 Pb
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  Pb O1 . 1_555 2.754(12) yes
  Pb O1 . 4_454 2.859(12) yes
  Pb O2 . 2_455 2.975(13) yes
  Pb O3 . 4_454 2.637(9) yes
  Pb O4 . 2_455 2.649(11) yes
  Pb O4 . 3_545 2.847(12) yes
  Pb O5 . 4_554 2.398(11) yes
  Pb O6 . 3_545 2.575(12) yes
  O1 O2 . 1_555 1.964(16) N
  O1 C1 . 1_555 1.268(12) N
  O1 Pb . 1_555 2.754(12) N
  O1 Pb . 4_455 2.859(12) N
  O2 O1 . 1_555 1.964(16) N
  O2 C1 . 1_555 1.204(12) N
  O2 Pb . 2_555 2.975(13) N
  O3 H3O . 1_555 0.745 N
  O3 C2 . 1_555 1.399(15) N
  O3 Pb . 4_455 2.637(9) N
  H3O O3 . 1_555 0.745 N
  H3O H2 . 4_555 1.949820 N
  O4 H4O . 1_555 0.932 N
  O4 C3 . 1_555 1.466(17) N
  O4 Pb . 2_555 2.649(11) N
  O4 Pb . 3_555 2.847(12) N
  H4O O4 . 1_555 0.932 N
  O5 O6 . 1_555 2.173(16) N
  O5 C4 . 1_555 1.280(12) N
  O5 Pb . 4_555 2.398(11) N
  O6 O5 . 1_555 2.173(16) N
  O6 C4 . 1_555 1.321(12) N
  O6 Pb . 3_555 2.575(12) N
  C1 O1 . 1_555 1.268(12) N
  C1 O2 . 1_555 1.204(12) N
  C1 C2 . 1_555 1.429(12) N
  C2 O3 . 1_555 1.399(15) N
  C2 C1 . 1_555 1.429(12) N
  C2 H2 . 1_555 1.082 N
  C2 C3 . 1_555 1.545(12) N
  H2 C2 . 1_555 1.082 N
  C3 O4 . 1_555 1.466(17) N
  C3 C2 . 1_555 1.545(12) N
  C3 H3 . 1_555 0.991 N
  C3 C4 . 1_555 1.455(13) N
  H3 C3 . 1_555 0.991 N
  C4 O5 . 1_555 1.280(12) N
  C4 O6 . 1_555 1.321(12) N
  C4 C3 . 1_555 1.455(13) N