#------------------------------------------------------------------------------
#$Date: 2016-02-14 15:26:36 +0100 (dom 14 de feb de 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/55/2105549.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2105549
loop_
_publ_author_name
'Corker, D. L.'
'Glazer, A. M.'
'Kaminsky, W.'
'Whatmore, R. W.'
'Dec, J.'
'Roleder, K.'
_publ_section_title
;
 Investigation into the Crystal Structure of the Perovskite Lead Hafnate,
 PbHfO₃
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              18
_journal_page_last               28
_journal_paper_doi               10.1107/S0108768197009208
_journal_volume                  54
_journal_year                    1998
_chemical_formula_sum            'Hf O3 Pb'
_chemical_formula_weight         433.68
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2 2ab'
_symmetry_space_group_name_H-M   'P b a m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            8
_cell_length_a                   5.8582(3)
_cell_length_b                   11.7224(5)
_cell_length_c                   8.2246(3)
_cell_volume                     564.80(4)
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     1.90788
_exptl_absorpt_coefficient_mu    0.153
_exptl_crystal_density_diffrn    10.20
_cod_data_source_file            bm0011.cif
_cod_data_source_block           bm0011b
_cod_original_cell_volume        564.80
_cod_original_formula_sum        'Pb1 Hf1 O3'
_cod_database_code               2105549
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Pb(1) .734(2) .1278(8) .0 .044(5)
Pb(2) .723(2) .1252(9) .5 .034(6)
Hf(1) .2464(9) .1272(7) .2493(9) .004(3)
O(1) .275(3) .0930(10) .0 .027(3)
O(2) .273(2) .1439(9) .5 .015(3)
O(3) .021(2) .2562(8) .2200(10) .041(3)
O(4) .0 .5 .2700(10) .017(2)
O(5) .0 .0 .2760(10) .015(2)
