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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/9/9004923.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_9004923
_chemical_name 'Uranospathite'
loop_
_publ_author_name
'Locock A J'
'Kinman W S'
'Burns P C'
_journal_name_full "The Canadian Mineralogist"
_journal_volume 43
_journal_year 2005
_journal_page_first 989
_journal_page_last 1003
_publ_section_title
;
 The structure and composition of uranospathite,
 Al1-xVacancyx[(UO2)(PO4)]2(H2O)20+3xF1-3x, x = 0 - 0.33,
 a non-centrosymmetric flourine-bearing mineral of the autunite group,
 and of a related synthetic lower hydrate,
 Al0.67Vacancy0.33[(UO2)(PO4)]2(H2O)15.5
 Locality: Venachat, Haute-Vienne, France
;
_chemical_formula_sum 'Al.86 U2 P2 O33'
_cell_length_a 30.020
_cell_length_b 7.0084
_cell_length_c 7.0492
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1483.097
_symmetry_space_group_name_H-M 'P n n 2'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+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
Al1   0.00000   0.50000   0.95780   0.86000   0.01700
U1   0.22140   0.25430   0.24770   1.00000   0.01400
P1   0.25050   0.75460   0.24650   1.00000   0.01600
O1   0.28060   0.25630   0.23560   1.00000   0.02000
O2   0.16210   0.25470   0.25950   1.00000   0.01900
O3   0.21940   0.57940   0.27360   1.00000   0.01600
O4   0.27760   0.77900   0.42330   1.00000   0.01100
O5   0.21990   0.92660   0.21790   1.00000   0.02100
O6   0.28390   0.72410   0.07800   1.00000   0.02000
O7   0.97330   0.34100   0.77890   1.00000   0.03800
O8   0.98110   0.32810   0.14460   1.00000   0.03600
O9   0.05440   0.35080   0.94870   1.00000   0.04200
O10   0.13760   0.47840   0.84210   1.00000   0.03900
O11   0.14010   0.02450   0.64770   1.00000   0.03500
O12   0.14090   0.66600   0.48360   1.00000   0.03900
O13   0.14160   0.84890   0.01040   1.00000   0.03200
O14   0.06170   0.00000   0.11090   1.00000   0.03600
O15   0.06110   0.53070   0.45360   1.00000   0.03800
O16   0.06570   0.14520   0.47500   1.00000   0.03600
O17   0.00000   0.00000   0.67140   1.00000   0.03200