#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9004910.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_9004910
_chemical_name 'Sr[(UO2)(PO4)]2(H2O)11'
loop_
_publ_author_name
'Locock A J'
'Burns P C'
'Flynn T M'
_journal_name_full "The Canadian Mineralogist"
_journal_volume 43
_journal_year 2005
_journal_page_first 721
_journal_page_last 733
_publ_section_title
;
 Structures of strontium- and barium-dominant compounds that contain the autunit
 Sample: SrUP11
;
_chemical_formula_sum 'U2 P2 Sr.795 O23 H19.28'
_cell_length_a 14.042
_cell_length_b 21.008
_cell_length_c 6.997
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 2064.075
_symmetry_space_group_name_H-M 'P n m a'
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_occupancy
_atom_site_Uiso_or_equiv
U   0.12490   0.54140   0.74830   1.00000   0.01200
P   0.12380   0.50030   0.24610   1.00000   0.01400
Sr   0.12470   0.75000   0.46870   0.79500   0.02000
O1   0.12390   0.45670   0.74730   1.00000   0.02700
O2   0.12200   0.62600   0.74280   1.00000   0.02200
O3   0.12510   0.54370   0.06980   1.00000   0.02800
O4   0.03630   0.45830   0.24340   1.00000   0.02700
O5   0.21090   0.45560   0.25330   1.00000   0.02200
O6   0.12050   0.54530   0.42140   1.00000   0.02200
Wat7   0.74460   0.25000   0.26710   1.00000   0.03900
Wat8   0.24050   0.65930   0.34500   1.00000   0.06500
Wat9   0.00870   0.65930   0.35350   1.00000   0.05900
Wat10   0.99820   0.25000   0.26300   1.00000   0.03900
Wat11   0.12450   0.75000   0.06600   1.00000   0.04000
Wat12   0.17720   0.34310   0.47870   1.00000   0.05100
Wat13   0.07200   0.34330   0.01890   1.00000   0.05200