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#$Date: 2013-03-28 18:17:04 +0200 (Thu, 28 Mar 2013) $
#$Revision: 77586 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/48/9004892.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9004892
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: CoUP10
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1699
_journal_page_last               1718
_journal_volume                  42
_journal_year                    2004
_chemical_formula_structural     Co[UO2PO4]2(H2O)10
_chemical_formula_sum            'Co H20 O22 P2 U2'
_chemical_name_mineral           Co[UO2PO4]2(H2O)10
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.440
_cell_angle_gamma                90
_cell_length_a                   6.9490
_cell_length_b                   19.9348
_cell_length_c                   6.9620
_cell_volume                     964.396
_exptl_crystal_density_diffrn    3.337
_[local]_cod_chemical_formula_sum_orig 'Co U2 P2 O22 H20'
_cod_database_code               9004892
_amcsd_database_code             AMCSD#0005948
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_U_iso_or_equiv
Co 0.00000 0.50000 0.00000 0.02300
U 0.45030 0.20830 0.98050 0.00900
P 0.94840 0.25150 0.97790 0.01100
O1 0.40740 0.20150 0.30700 0.01900
O2 0.48620 0.20420 0.65380 0.01900
O3 0.12470 0.20820 -0.06140 0.01800
O4 0.77900 0.20470 0.02130 0.01800
O5 0.45450 0.29750 0.98480 0.02200
O6 0.44630 0.11930 0.97890 0.02000
Wat1 0.59410 0.00350 0.21870 0.03900
Wat2 0.22950 0.57140 0.07210 0.03100
Wat3 0.82830 0.58170 0.94040 0.03200
Wat4 0.02290 0.08370 0.74260 0.03800
Wat5 0.93500 0.07390 0.14910 0.06600