#------------------------------------------------------------------------------
#$Date$
#$Revision$
#$URL$
#------------------------------------------------------------------------------
#
# 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_9011744
loop_
_publ_author_name
'Mereiter, K.'
_publ_section_title
;
 Crystal structure refinement of two francevillites, (Ba,Pb)[(UO2)2V2O8]*5H2O
 Locality: Mounana, near Franceville, Gabon
;
_journal_name_full               'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_page_first              552
_journal_page_last               560
_journal_volume                  1986
_journal_year                    1986
_chemical_formula_sum            'Ba0.96 H10 O17 Pb0.04 U2 V2'
_chemical_name_mineral           Francevillite
_space_group_IT_number           60
_symmetry_space_group_name_Hall  '-P 2n 2c'
_symmetry_space_group_name_H-M   'P c a n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.419
_cell_length_b                   8.510
_cell_length_c                   16.7630
_cell_volume                     1486.303
_[local]_cod_data_source_file    11172.cif
_[local]_cod_data_source_block   global
_[local]_cod_chemical_formula_sum_orig '(Ba.96 Pb.04) U2 V2 O17 H10'
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,1/2+z
x,-y,1/2-z
1/2+x,1/2-y,z
1/2-x,1/2+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_occupancy
_atom_site_U_iso_or_equiv
Ba 0.33230 0.00000 0.25000 0.96000 0.02685
Pb 0.33230 0.00000 0.25000 0.04000 0.02685
U 0.18504 0.02194 -0.00376 1.00000 0.01267
V 0.03121 0.34636 0.04243 1.00000 0.01520
O1 0.17040 0.06040 -0.10840 1.00000 0.02660
O2 0.20310 -0.02120 0.10080 1.00000 0.02153
O3 -0.00560 0.35960 0.13550 1.00000 0.02533
O4 -0.09760 0.43790 -0.02030 1.00000 0.01900
O5 -0.01460 0.15240 0.01270 1.00000 0.01900
O6 0.19970 0.29020 0.03140 1.00000 0.02153
Wat7 0.25510 0.30330 0.22510 1.00000 0.05066
Wat8 0.51990 0.18680 0.32360 1.00000 0.04813
Wat9 0.03720 0.00000 0.25000 1.00000 0.06459
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Ba 0.02761 0.03255 0.02064 0.00000 0.00000 0.00266
Pb 0.02761 0.03255 0.02064 0.00000 0.00000 0.00266
U 0.00975 0.01381 0.01647 0.00114 0.00000 -0.00038
V 0.01229 0.01355 0.01976 0.00114 0.00000 -0.00038