#------------------------------------------------------------------------------
#$Date: 2008-03-10 10:25:41 +0200 (Mon, 10 Mar 2008) $
#$Revision: 255 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9004474.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_9004474
loop_
_publ_author_name
'Lam A E'
'Groat L A'
'Ercit T S'
_publ_section_title
;
 The crystal structure of dugganite, Pb3Zn3TeAs2O14
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              823
_journal_page_last               830
_journal_volume                  36
_journal_year                    1998
_chemical_formula_sum            'Te As6 Pb3 Zn3 O18'
_chemical_name_mineral           Dugganite
_symmetry_space_group_name_H-M   'P 3 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   8.460
_cell_length_b                   8.460
_cell_length_c                   5.206
_cell_volume                     322.683
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,x,-z
-y,x-y,z
-x,-x+y,-z
-x+y,-x,z
x-y,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Te 0.00000 0.00000 0.00000
As 0.00000 10.66667 0.52940
Pb 0.59470 20.00000 0.00000
Zn 0.24600 60.00000 0.50000
O1 0.12000 2.21200 0.21700
O2 0.46000 7.20000 0.33900
O3 0.00000 10.66667 0.23900
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
Te 0.03050 0.03050 0.01580 0.01530 0.00000 0.00000
As 0.02370 0.02370 0.03690 0.01190 0.00000 0.00000
Pb 0.03590 0.03800 0.03030 0.01900 0.00100 0.00200
Zn 0.03430 0.02860 0.02480 0.01430 -0.00070 -0.00140
O1 0.03250 0.03630 0.02470 0.01090 0.00430 -0.00500
O2 0.05020 0.06710 0.03980 0.00480 0.01780 -0.00770
O3 0.04070 0.04070 0.06680 0.02030 0.00000 0.00000