#------------------------------------------------------------------------------
#$Date: 2009-11-18 16:56:34 +0200 (Wed, 18 Nov 2009) $
#$Revision: 858 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9004888.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_9004888
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: MgUAs12
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1699
_journal_page_last               1718
_journal_volume                  42
_journal_year                    2004
_chemical_formula_sum            'As2 H24 Mg O24 U2'
_[local]_cod_chemical_formula_sum_orig 'Mg U2 As2 O24 H24'
_chemical_name_mineral           'Novacekite I'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                81.391
_cell_angle_beta                 81.177
_cell_angle_gamma                88.884
_cell_length_a                   7.1594
_cell_length_b                   7.1610
_cell_length_c                   11.3146
_cell_volume                     566.756
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Mg 0.00000 0.00000 0.50000 0.02800
U 0.73220 0.23000 0.07980 0.01200
As 0.75090 0.74570 -0.00150 0.01200
O1 0.77590 0.26880 -0.07970 0.01100
O2 0.68630 0.18710 0.24010 0.02100
O3 0.77260 0.54270 0.09220 0.01900
O4 0.69260 0.91310 0.08640 0.02100
O5 0.58540 0.72540 -0.08940 0.02000
O6 0.95460 0.80490 -0.09590 0.01900
Wat1 0.80130 -0.19660 0.47480 0.03400
Wat2 0.12860 0.00280 0.32360 0.03900
Wat3 0.81630 0.21320 0.45080 0.03900
Wat4 0.46750 0.79060 0.30710 0.04000
Wat5 0.07890 0.44150 0.68680 0.03900
Wat6 0.30020 0.44040 0.31490 0.04100