#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9004891.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_9004891
_chemical_name 'Mn[UO2PO4]2(H2O)10'
loop_
_publ_author_name
'Locock A J'
'Burns P C'
'Flynn M'
_journal_name_full "The Canadian Mineralogist"
_journal_volume 42
_journal_year 2004
_journal_page_first 1699
_journal_page_last 1718
_publ_section_title
;
 Divalent transition metals and magnesium in structures
 that contain the autunite-type sheet
 Sample: MnUP10
;
_chemical_formula_sum 'Mn U2 P2 O22 H20'
_cell_length_a 6.9656
_cell_length_b 20.3768
_cell_length_c 6.9775
_cell_angle_alpha 90
_cell_angle_beta 91.019
_cell_angle_gamma 90
_cell_volume 990.206
_symmetry_space_group_name_H-M 'I 1 2/m 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  'x,-y,z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
  '1/2-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_Uiso_or_equiv
Mn   0.00000   0.00000   0.00000   0.04200
U   0.00000   0.20910   0.50000   0.01300
P   0.00000   0.24820   0.00000   0.01600
O1   0.00000   0.12090   0.50000   0.02400
O2   0.00000   0.29660   0.50000   0.02700
O3   0.03710   0.20350   0.17430   0.02300
O4   0.32640   0.20750   0.53540   0.02300
Wat1   0.29910   0.42030   0.42680   0.05500
Wat2   0.11160   0.00000  -0.29250   0.08700
Wat3   0.05420   0.41510   0.78970   0.07200