#------------------------------------------------------------------------------
#$Date: 2011-09-17 23:27:16 +0300 (Sat, 17 Sep 2011) $
#$Revision: 26029 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2012488.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_2012488
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2002
_journal_volume  58
_journal_page_first  i23
_journal_page_last  i24
_publ_section_title
;
Dilead mercury chromate(VI), Pb~2~HgCrO~6~
;
loop_
_publ_author_name
  'Klein, W.'
  'Curda, J.'
  'Friese, K.'
  'Jansen, M.'
_chemical_formula_sum  'Cr Hg O6 Pb2'
_chemical_formula_structural  'Pb2 (Hg O2) (Cr O4)'
_chemical_formula_iupac  'Pb2 Hg Cr O6'
_chemical_formula_weight  762.98
_symmetry_cell_setting  triclinic
_symmetry_space_group_name_H-M  'P -1'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, -y, -z'
_cell_length_a  6.505(2)
_cell_length_b  7.201(3)
_cell_length_c  7.605(3)
_cell_angle_alpha  91.82(3)
_cell_angle_beta  92.17(3)
_cell_angle_gamma  111.33(3)
_cell_volume  331.2(2)
_cell_formula_units_Z  2
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  7.651
_diffrn_ambient_temperature  293(2)
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
  Hg1  .68673(8)  .70067(9)  .63551(7)  .03091(19) Uani d . 1 . . Hg
  Pb1  -.21924(9)  .25922(8)  .13343(8)  .0320(2) Uani d . 1 . . Pb
  Pb2  .17992(9)  .74491(8)  .39612(7)  .0317(2) Uani d . 1 . . Pb
  Cr1  .7086(4)  .7665(4)  .1477(3)  .0301(5) Uani d . 1 . . Cr
  O1  .463(2)  .6478(18)  .2086(19)  .049(3) Uani d . 1 . . O
  O2  .0538(16)  .3898(15)  .3672(14)  .031(2) Uani d . 1 . . O
  O3  .844(2)  .9460(17)  .2982(15)  .039(2) Uani d . 1 . . O
  O4  .4134(16)  .7651(17)  .6257(14)  .035(2) Uani d . 1 . . O
  O5  -.1528(19)  .6160(18)  .1271(16)  .042(3) Uani d . 1 . . O
  O6  .686(2)  .8686(18)  -.0350(15)  .042(3) Uani d . 1 . . O
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
  Hg1  .0240(3)  .0354(3)  .0366(3)  .0149(2)  .0000(2)  .0017(2)
  Pb1  .0300(3)  .0332(3)  .0344(3)  .0134(2)  .0011(2)  .0004(2)
  Pb2  .0265(3)  .0341(3)  .0364(3)  .0136(2)  -.0018(2)  .0036(2)
  Cr1  .0287(11)  .0302(10)  .0339(12)  .0138(8)  -.0007(9)  .0015(9)
  O1  .037(6)  .036(5)  .068(8)  .007(5)  .009(6)  .010(5)
  O2  .021(4)  .034(5)  .043(5)  .018(4)  -.005(4)  -.002(4)
  O3  .044(6)  .035(5)  .043(6)  .020(5)  .000(5)  .000(4)
  O4  .021(5)  .054(6)  .040(5)  .026(4)  -.004(4)  .002(5)
  O5  .028(5)  .043(6)  .049(7)  .008(4)  -.009(5)  -.007(5)
  O6  .052(7)  .043(6)  .036(6)  .024(5)  .002(5)  .007(5)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  Hg1 O4 . 1.993(9) y
  Hg1 O2 2_666 2.019(9) y
  Hg1 O1 2_666 2.673(9) y
  Hg1 O6 1_556 2.749(9) y
  Hg1 O3 . 3.150(9) y
  Hg1 O3 2_776 3.193(9) y
  Hg1 O1 . 3.459(9) y
  Pb1 O4 2_566 2.240(11) y
  Pb1 O2 . 2.375(10) y
  Pb1 O5 . 2.448(12) y
  Pb1 O3 1_445 2.765(12) y
  Pb1 O6 2_565 2.893(12) y
  Pb1 O6 1_445 2.895(12) y
  Pb1 O5 2_565 3.080(12) y
  Pb1 O1 2_565 3.209(12) y
  Pb1 Pb2 2_566 3.5791(16) ?
  Pb2 O4 . 2.236(9) y
  Pb2 O2 . 2.384(10) y
  Pb2 O2 2_566 2.395(11) y
  Pb2 O1 . 2.642(14) y
  Pb2 O5 . 2.795(14) y
  Pb2 O3 1_455 3.109(14) y
  Pb2 O3 2_676 3.215(14) y
  Pb2 O4 2_676 3.571(14) y
  Pb2 Pb1 2_566 3.5791(16) ?
  Cr1 O1 . 1.609(12) y
  Cr1 O6 . 1.619(11) y
  Cr1 O5 1_655 1.650(13) y
  Cr1 O3 . 1.661(12) y
  O2 Hg1 2_666 2.019(9) ?
  O2 Pb2 2_566 2.395(11) ?
  O4 Pb1 2_566 2.240(11) ?
  O5 Cr1 1_455 1.650(13) ?
_cod_database_code 2012488