#------------------------------------------------------------------------------
#$Date: 2008-03-10 10:25:41 +0200 (Mon, 10 Mar 2008) $
#$Revision: 255 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9002427.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_9002427
loop_
_publ_author_name
'Kolitsch U'
'Giester G'
_publ_section_title
;
 The crystal structure of namibite, Cu(BiO)2VO4(OH), and a revision
 of its symmetry
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1298
_journal_page_last               1301
_journal_volume                  85
_journal_year                    2000
_chemical_formula_sum            'Bi2 Cu V O7 H'
_chemical_name_mineral           Namibite
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                90.10
_cell_angle_beta                 108.73
_cell_angle_gamma                107.47
_cell_length_a                   6.210
_cell_length_b                   7.398
_cell_length_c                   7.471
_cell_volume                     308.224
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
Bi1 0.50921 0.12785 0.29598
Bi2 0.47248 -0.37572 0.28136
Cu1 0.00000 0.50000 0.50000
Cu2 0.00000 0.00000 0.50000
V 0.09600 0.27640 0.92440
O1 0.21530 0.48960 0.85880
O2 0.21050 0.12500 0.84890
O3 -0.21660 0.20100 0.82880
O4 0.20930 0.30430 0.17420
O5 0.66470 0.41080 0.48340
O-H6 0.95680 0.23690 0.41090
O7 0.66120 -0.08150 0.48420
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
Bi1 0.01223 0.00966 0.00969 0.00344 0.00483 0.00122
Bi2 0.01125 0.01026 0.01165 0.00216 0.00591 0.00028
Cu1 0.00450 0.00470 0.01590 -0.00040 0.00530 -0.00040
Cu2 0.00450 0.00610 0.01540 0.00120 0.00410 0.00260
V 0.01030 0.01200 0.01040 0.00290 0.00200 -0.00050
O1 0.02100 0.01800 0.02400 0.00400 0.00700 0.00500
O2 0.02400 0.02000 0.01800 0.01100 0.00600 -0.00100
O3 0.01400 0.01600 0.01400 0.00500 0.00200 0.00200
O4 0.01100 0.01000 0.01300 0.00200 0.00200 0.00000
O5 0.00100 0.01300 0.00900 -0.00010 0.00080 -0.00170
OH6 0.01100 0.00600 0.02300 0.00160 0.00600 0.00400
O7 0.00600 0.01100 0.00700 -0.00010 0.00150 0.00280