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#$Date: 2016-02-16 14:49:47 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176465 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/27/9012787.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_9012787
loop_
_publ_author_name
'Rosenzweig, A.'
'Ryan, R. R.'
_publ_section_title
;
 Kasolite, Pb(UO2)(SiO4)*H2O
;
_journal_name_full               'Crystal Structure Communications'
_journal_page_first              617
_journal_page_last               621
_journal_volume                  6
_journal_year                    1977
_chemical_formula_sum            'H2 O7 Pb Si U'
_chemical_name_mineral           Kasolite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.22
_cell_angle_gamma                90
_cell_length_a                   6.704
_cell_length_b                   6.932
_cell_length_c                   13.252
_cell_volume                     596.979
_exptl_crystal_density_diffrn    6.535
_cod_original_formula_sum        'Pb U Si O7 H2'
_cod_database_code               9012787
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,1/2-y,1/2+z
-x,1/2+y,1/2-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
Pb 0.01990 0.02400 0.01830 0.00400 0.00490 0.00760
U 0.01350 0.00690 0.00420 0.00020 0.00130 0.00050
Si 0.01200 0.00700 0.00300 0.00000 0.00100 -0.00100
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Pb 0.07540 0.07060 0.38210 ?
U 0.47570 0.22990 0.17880 ?
Si 0.40790 0.71200 0.07340 ?
O1 0.20500 0.27600 0.16600 0.01267
O2 0.25000 0.69700 0.30000 0.01267
O3 0.18000 0.63800 0.02600 0.01393
O4 0.45100 0.26700 0.00900 0.01393
O5 0.52600 0.55900 0.16700 0.00760
O6 0.41800 0.90300 0.14700 0.01267
Wat7 0.94000 0.93200 0.08900 0.04686