#------------------------------------------------------------------------------
#$Date: 2010-06-10 18:11:07 +0300 (Thu, 10 Jun 2010) $
#$Revision: 1210 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9002375.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# 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_9002375
loop_
_publ_author_name
'Burns, P. C.'
_publ_section_title
;
 A new uranyl phosphate chain in the structure of parsonsite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              801
_journal_page_last               805
_journal_volume                  85
_journal_year                    2000
_chemical_formula_sum            'O10 P2 Pb2 U'
_chemical_name_mineral           Parsonsite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                101.265
_cell_angle_beta                 98.174
_cell_angle_gamma                86.378
_cell_length_a                   6.842
_cell_length_b                   10.383
_cell_length_c                   6.670
_cell_volume                     459.684
_exptl_crystal_density_diffrn    6.317
_[local]_cod_chemical_formula_sum_orig 'U Pb2 P2 O10'
_cod_database_code               9002375
_amcsd_database_code             AMCSD#0002458
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
U 0.03300 0.02140 0.01640 0.00330 0.00930 0.00410
Pb1 0.02980 0.04190 0.02000 0.00250 0.00860 0.00710
Pb2 0.03700 0.03140 0.03160 0.00180 0.00910 0.00160
P1 0.02630 0.01590 0.00780 0.00800 0.00380 0.00450
P2 0.02240 0.01920 0.01750 0.00290 0.00730 0.00270
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
U 0.61640 0.84060 0.11260 ?
Pb1 0.30060 0.54150 0.26940 ?
Pb2 0.04510 0.77390 0.72040 ?
P1 0.53400 0.81870 0.63020 ?
P2 0.81400 0.54920 0.27800 ?
O1 0.98300 0.63600 0.40900 0.02110
O2 0.33500 0.48400 0.59700 0.02420
O3 0.36400 0.78500 0.07900 0.03400
O4 0.66500 0.72700 0.76200 0.02340
O5 0.70300 0.62500 0.11800 0.02810
O6 0.33600 0.75200 0.53600 0.03520
O7 0.50500 0.06000 0.20300 0.02290
O8 0.85500 0.89900 0.14100 0.03750
O9 0.64700 0.85400 0.46700 0.03090
O10 0.91500 0.42200 0.16800 0.02910