#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2003071.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_2003071
_journal_name_full     'Acta Crystallographica, Section B'
_journal_year     1998
_journal_volume     B54
_journal_page_first     524
_journal_page_last     530
loop_
    _publ_author_name
    'Yamasaki, K.'
    'Soejima, Y.'
_chemical_formula_moiety     ?
_chemical_formula_sum     'Pb1 Zr1 O3'
_chemical_formula_weight     346.41
_symmetry_cell_setting     orthorhombic
_symmetry_space_group_name_H-M     'P b a m'
_symmetry_space_group_name_Hall     '-P 2 2ab'
_cell_length_a     5.8884(19)
_cell_length_b     11.771(4)
_cell_length_c     8.226(3)
_cell_angle_alpha     90.0
_cell_angle_beta     90.0
_cell_angle_gamma     90.0
_cell_volume     570.14
_cell_formula_units_Z     8
_cell_measurement_reflns_used     6
_cell_measurement_theta_min     28
_cell_measurement_theta_max     30
_cell_measurement_temperature     300
_exptl_crystal_description     irregular
_exptl_crystal_colour     'light yellow'
_exptl_crystal_size_max     0.15
_exptl_crystal_size_mid     0.09
_exptl_crystal_size_min     0.09
_exptl_crystal_density_diffrn     8.07
_exptl_crystal_density_meas     ?
_exptl_crystal_F_000     ?
_exptl_absorpt_coefficient_mu     12.33
_exptl_absorpt_correction_type     none
_diffrn_radiation_type     synchrotron
_diffrn_radiation_wavelength     0.350
_diffrn_measurement_device     'Vertical four-circle'
_diffrn_measurement_method     w
_diffrn_reflns_number     2003
_diffrn_reflns_theta_max     19.2
_diffrn_reflns_limit_h_min     0
_diffrn_reflns_limit_h_max     10
_diffrn_reflns_limit_k_min     0
_diffrn_reflns_limit_k_max     21
_diffrn_reflns_limit_l_min     0
_diffrn_reflns_limit_l_max     14
_diffrn_standards_number     1
_diffrn_standards_interval_time     50
_diffrn_standards_decay_%     ?
_reflns_number_total     2003
_reflns_number_observed     335
_reflns_observed_criterion     F>\s(F)
_refine_ls_structure_factor_coef     F
_refine_ls_R_factor_obs     0.047
_refine_ls_wR_factor_obs     0.045
_refine_ls_goodness_of_fit_obs     0.060
_refine_ls_number_reflns     335
_refine_ls_number_parameters     21
_refine_ls_weighting_scheme     \s
_refine_ls_shift/esd_max     0.13
_refine_diff_density_max     4.19
_refine_diff_density_min     -4.25
_refine_ls_extinction_method     none
_atom_type_scat_source
                       'International Tables for Crystallography (1992, Vol. C)'
loop_
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    Pb1 .7085(3) .1300(3) .0
    Pb2 .7117(4) .1246(4) .5
    Zr .2423(3) .1242(3) .253(6)
    O1 .291(2) .1009(12) .0
    O2 .2761(2) .1585(16) .5
    O3 .0284(12) .2606(5) .2207(11)
    O4 .5 .0 .302(2)
    O5 .0 .0 .282(2)