#------------------------------------------------------------------------------
#$Date: 2008-04-03 11:11:48 +0100 (Thu, 03 Apr 2008) $
#$Revision: 326 $
#$URL: svn://www.crystallography.net/cod/cif/2/2101630.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_2101630
loop_
_publ_author_name
'Cabeza, A.'
'Aranda, M. A. G.'
'Martinez-Lara, M.'
'Bruque, S.'
'Sanz, J.'
_publ_section_title
;
 <i>Ab initio</i> powder structure determination and thermal behavior
 of a new lead(II) phenylphosphonate, Pb(O~3~PC~6~H~5~)
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              982
_journal_page_last               988
_journal_volume                  52
_journal_year                    1996
_chemical_formula_sum            'C6 H5 O3 P1 Pb1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                106.188(3)
_cell_angle_beta                 94.927(3)
_cell_angle_gamma                96.977(2)
_cell_formula_units_Z            4
_cell_length_a                   13.6907(5)
_cell_length_b                   9.3327(4)
_cell_length_c                   7.0432(3)
_cell_volume                     851.04(8)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54184
_[local]_cod_data_source_file    du0407.cif
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Pb(1) .8999(2) .9217(3) .1293(5) .0125(11)
Pb(2) .0662(2) .6751(3) .4103(4) .0068(10)
P(1) .1225(6) .1112(11) .4165(19) .000(2)
P(2) .0938(6) .6853(10) .8887(16) .0002
O(11) .0611(12) .057(3) .209(2) .0002
O(12) .1071(13) .989(2) .525(3) .0002
O(13) .0820(11) .2424(19) .557(3) .0002
O(21) .0330(13) .5681(18) .707(2) .0002
O(22) .0418(14) .708(2) .076(2) .0002
O(23) .1234(11) .8351(16) .843(2) .0002
C(11) .2528(8) .1642(16) .397(3) .0002
C(12) .3002(10) .3126(15) .488(5) .0002
C(13) .3036(12) .060(2) .276(5) .0002
C(14) .4043(10) .342(3) .512(5) .0002
C(15) .4027(14) .106(3) .256(5) .0002
C(16) .4556(9) .242(3) .385(6) .0002
C(21) .2079(7) .616(2) .940(4) .0002
C(22) .2988(8) .696(3) .924(6) .0002
C(23) .2078(12) .500(3) .030(5) .0002
C(24) .3875(8) .661(4) 1.001(6) .0002
C(25) .2961(13) .471(14) 1.119(5) .0002
C(26) .3863(11) .540(3) 1.082(5) .0002