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#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9007628.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_9007628
loop_
_publ_author_name
'Ghose S'
'Wan C'
_publ_section_title
;
 Structural chemistry of copper and zinc minerals. VI. Bayldonite,
 (Cu,Zn)3Pb(AsO4)2(OH)2: A complex layer structure
 Locality: Tsumeb, S.W. Africa
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              819
_journal_page_last               823
_journal_volume                  35
_journal_year                    1979
_chemical_formula_sum            'As2 Cu3 H2 O10 Pb'
_[local]_cod_chemical_formula_sum_orig 'Cu3 Pb As2 O10 H2'
_chemical_name_mineral           Bayldonite
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.05
_cell_angle_gamma                90
_cell_length_a                   10.147
_cell_length_b                   5.892
_cell_length_c                   14.081
_cell_volume                     809.034
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,1/2+z
1/2+x,1/2-y,1/2+z
-x,y,1/2-z
1/2-x,1/2+y,1/2-z
-x,-y,-z
1/2-x,1/2-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Cu1 0.00000 0.00000 0.00000 0.00836
Cu2 0.50000 0.00000 0.00000 0.00697
Cu3 0.25000 0.25000 0.50000 0.00735
Pb 0.00000 0.26980 0.25000 0.01507
As 0.29740 0.21640 0.14050 0.00507
O1 0.36720 0.45900 0.11790 0.00887
O2 0.14190 0.49860 0.41740 0.00874
O3 0.12150 0.22120 0.09710 0.01216
O4 0.34130 0.12600 0.25780 0.01773
O-h5 0.39600 0.24870 0.43730 0.00494
H 0.38000 0.10900 0.35400 0.03166
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
Cu1 0.01248 0.00317 0.00835 0.00131 0.00100 -0.00097
Cu2 0.01016 0.00475 0.00751 -0.00282 0.00501 -0.00153
Cu3 0.00829 0.00793 0.00594 0.00175 0.00020 0.00000
Pb 0.02505 0.01250 0.00631 0.00000 0.00214 0.00000
As 0.00877 0.00427 0.00297 -0.00055 0.00267 -0.00057
O1 0.00631 0.00973 0.01048 0.00128 0.00214 -0.00073
O2 0.00978 0.01104 0.00622 0.00204 0.00374 0.00182
O3 0.01094 0.01182 0.01484 -0.00367 0.00535 -0.00832
O4 0.04480 0.00737 0.00130 0.00987 0.00695 0.00521
Oh5 0.01248 0.00139 0.00111 -0.00274 0.00207 -0.00053
_cod_database_code 9007628