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#$Date: 2008-03-10 10:25:41 +0200 (Mon, 10 Mar 2008) $
#$Revision: 255 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009515.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_9009515
loop_
_publ_author_name
'Knight K S'
_publ_section_title
;
 A high temperature structural phase transition in crocoite (PbCrO4) at 1068 K:
 crystal structure refinement at 1073 K and thermal expansion tensor determination at 1000 K
 Sample: the high temperature form at T = 1073 K
 Locality: Dundas, Tasmania
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              291
_journal_page_last               300
_journal_volume                  64
_journal_year                    2000
_chemical_formula_sum            'Pb Cr O4'
_chemical_name_mineral           Crocoite
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.79861
_cell_length_b                   5.73422
_cell_length_c                   7.27402
_cell_volume                     366.997
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,1/2-y,z
-x,1/2+y,-z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2-z
1/2+x,y,1/2-z
1/2-x,-y,1/2+z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Pb 0.18170 0.25000 0.16410 0.12900
Cr 0.05920 0.25000 0.68240 0.06100
O1 0.18820 0.25000 0.53380 0.13400
O2 0.88970 0.25000 0.59740 0.14700
O3 0.07720 0.01500 0.81210 0.12800