#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9005221.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_9005221
_chemical_name 'Seelite'
loop_
_publ_author_name
'Piret P'
'Piret-Meunier J'
_journal_name_full "European Journal of Mineralogy"
_journal_volume 6
_journal_year 1994
_journal_page_first 673
_journal_page_last 677
_publ_section_title
;
 Structure de la seelite de Rabejac (France)
 Locality: Rabejac, France
;
_chemical_formula_sum 'U2 As2 Mg O17.6 H42'
_cell_length_a 18.194
_cell_length_b 7.071
_cell_length_c 6.670
_cell_angle_alpha 90
_cell_angle_beta 99.70
_cell_angle_gamma 90
_cell_volume 845.826
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,z'
  '1/2+x,1/2-y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
  '1/2-x,1/2-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   0.24115   0.00000   0.12810   1.00000   0.01500
As   0.20770   0.50000   0.32410   1.00000   0.02080
Mg   0.00000   0.00000   0.50000   1.00000   0.03400
O1   0.34100   0.00000   0.21000   1.00000   0.03400
O2   0.14200   0.00000   0.05100   1.00000   0.03800
O3   0.22600   0.00000   0.45900   1.00000   0.02400
O4   0.11300   0.50000   0.34000   0.30000   0.07000
O5   0.24000   0.67700   0.17800   1.00000   0.03300
Wat6   0.08600   0.18200   0.51800   0.30000   0.07000
Wat7   0.00300   0.00000   0.20100   0.30000   0.06000
Wat61   0.10400   0.15300   0.55100   0.35000   0.06000
Wat8  -0.03800   0.15800   0.72900   0.35000   0.08000
Wat9   0.04800  -0.20300   0.72000   0.35000   0.11000
Wat10   0.50000   0.00000   0.00000   0.30000   0.10000
Wat11  -0.00100   0.50000   0.17800   0.35000   0.13000