#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2005097.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_2005097
_journal_name_full  'Acta Crystallographica'
_journal_year      1996
_journal_volume    'C52'
_journal_page_first     1594
_journal_page_last     1597
_publ_section_title
;
Lead(II) Diiron(III) Pyrophosphate and Barium Diiron(III) Pyrophosphate
;
_chemical_formula_iupac     'Pb Fe2 (P2 O7)2'
_chemical_formula_moiety     'Pb1 Fe2 O14 P4'
_chemical_formula_sum     'Pb1 Fe2 O14 P4'
_chemical_formula_weight     666.8
_symmetry_cell_setting    'triclinic'
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
'-x,-y,-z'
_symmetry_space_group_name_H-M     'P -1'
_cell_length_a     4.785(2)
_cell_length_b     7.097(2)
_cell_length_c     7.851(3)
_cell_angle_alpha     89.71(2)
_cell_angle_beta     87.53(3)
_cell_angle_gamma     73.54(2)
_cell_volume     255.5(2)
_cell_formula_units_Z     1
_exptl_crystal_density_diffrn     4.334
_cell_measurement_temperature     298
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Pb1 0 0 0  .0270(10)
Fe1  .5  .5 0  .0110(10)
Fe2 0 0  .5  .0100(10)
P1  .0332(4)  .3810(3)  .2475(2)  .0090(10)
O11  .3062(14)  .4372(9)  .2062(7)  .016(2)
O12 -0.1225(13)  .3524(9)  .0850(7)  .015(2)
O13  .0891(14)  .1971(10)  .3513(7)  .018(2)
O14 -0.1875(14)  .5547(9)  .3501(6)  .015(2)
P2 -0.3813(5)  .7695(3)  .2989(2)  .0110(10)
O21 -0.6269(12)  .8198(8)  .4312(6)  .011(2)
O22 -0.1839(13)  .9021(9)  .2955(6)  .014(2)
O23 -0.4818(14)  .7573(9)  .1161(7)  .015(2)