#------------------------------------------------------------------------------
#$Date: 2008-03-10 10:25:41 +0200 (Mon, 10 Mar 2008) $
#$Revision: 255 $
#$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
loop_
_publ_author_name
'Locock A J'
'Burns P C'
'Flynn M'
_publ_section_title
;
 Divalent transition metals and magnesium in structures
 that contain the autunite-type sheet
 Sample: MnUP10
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1699
_journal_page_last               1718
_journal_volume                  42
_journal_year                    2004
_chemical_formula_sum            'Mn U2 P2 O22 H20'
_chemical_name_mineral           Mn[UO2PO4]2(H2O)10
_symmetry_space_group_name_H-M   'I 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.019
_cell_angle_gamma                90
_cell_length_a                   6.9656
_cell_length_b                   20.3768
_cell_length_c                   6.9775
_cell_volume                     990.206
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_U_iso_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