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#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9002426.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_9002426
_chemical_name 'Agrinierite'
loop_
_publ_author_name
'Cahill C L'
'Burns P C'
_journal_name_full "American Mineralogist"
_journal_volume 85
_journal_year 2000
_journal_page_first 1294
_journal_page_last 1297
_publ_section_title
;
 The structure of agrinierite: a Sr-containing uranyl oxide hydrate mineral
;
_chemical_formula_sum 'U6 (Sr.35 Ca.65) K2 O27 H14'
_cell_length_a 14.094
_cell_length_b 14.127
_cell_length_c 24.106
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 4799.648
_symmetry_space_group_name_H-M 'F 2 m m'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,y,1/2+z'
  '1/2+x,1/2+y,z'
  'x,1/2+y,1/2+z'
  'x,y,-z'
  '1/2+x,y,1/2-z'
  '1/2+x,1/2+y,-z'
  'x,1/2+y,1/2-z'
  'x,-y,z'
  '1/2+x,-y,1/2+z'
  '1/2+x,1/2-y,z'
  'x,1/2-y,1/2+z'
  'x,-y,-z'
  '1/2+x,-y,1/2-z'
  '1/2+x,1/2-y,-z'
  'x,1/2-y,1/2-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
U1   0.37230   0.23360   0.50000   1.00000   0.01500
U2   0.58030   0.27100   0.59030   1.00000   0.01400
U3   0.61600   0.25000   0.75000   1.00000   0.01400
U4   0.32790   0.24020   0.33990   1.00000   0.01400
Sr1   0.67530   0.00000   0.65840   0.35000   0.02600
Ca1   0.67530   0.00000   0.65840   0.65000   0.02600
K2   0.49300   0.50000   0.50000   1.00000   0.03900
K3   0.65410   0.50000   0.66990   1.00000   0.04100
K4   0.56290   0.00000   0.50000   1.00000   0.02700
O1   0.29940   0.36290   0.35080   1.00000   0.00700
O2   0.55790   0.39720   0.58470   1.00000   0.01700
O-H4   0.74340   0.30360   0.56460   1.00000   0.02300
O5   0.54200   0.26400   0.50000   1.00000   0.02700
O6   0.43000   0.24290   0.41280   1.00000   0.02500
O7   0.67000   0.20250   0.83380   1.00000   0.01200
O-H8   0.48170   0.29080   0.30950   1.00000   0.02100
O9   0.89800   0.39000   0.50000   1.00000   0.01300
O10   0.60980   0.14460   0.59370   1.00000   0.01900
O11   0.28100   0.25000   0.25000   1.00000   0.01200
O12   0.35580   0.11800   0.32810   1.00000   0.02200
O13   0.61460   0.12550   0.72310   1.00000   0.02000
O14   0.34000   0.35900   0.50000   1.00000   0.02800
Wat1   0.46500   0.50000   0.68600   1.00000   0.05000
Wat2   0.29500   0.50000   0.74000   1.00000   0.02600
Wat3   0.23900   0.50000   0.56280   1.00000   0.02100
Wat4   0.50200   0.00000   0.64200   1.00000   0.03800
Wat5   0.77600   0.50000   0.57500   1.00000   0.03800