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#$Date: 2016-02-16 14:49:47 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176465 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/62/9016211.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_9016211
loop_
_publ_author_name
'Mills, S. J.'
'Kampf, A. R.'
'Kolitsch, U.'
'Housley, R. M.'
'Raudsepp, M.'
_publ_section_title
;
 The crystal chemistry and crystal structure of kuksite, Pb3Zn3Te6+P2O14,
 and a note on the crystal structure of yafsoanite, (Ca,Pb)3Zn(TeO6)2
;
_journal_name_full               'American Mineralogist'
_journal_page_first              933
_journal_page_last               938
_journal_paper_doi               10.2138/am.2010.3483
_journal_volume                  95
_journal_year                    2010
_chemical_compound_source
'Black Pine mine, NW of Philipsburg, Granite County, Montana, USA'
_chemical_formula_sum            'As0.404 O14 P1.594 Pb3 Te Zn3'
_chemical_name_mineral           Kuksite
_space_group_IT_number           150
_symmetry_space_group_name_Hall  'P 3 2"'
_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                   8.392
_cell_length_b                   8.392
_cell_length_c                   5.204
_cell_volume                     317.394
_database_code_amcsd             0005047
_exptl_crystal_density_diffrn    6.535
_cod_original_formula_sum        'Pb3 Te Zn3 P1.594 As.404 O14'
_cod_database_code               9016211
loop_
_space_group_symop_operation_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_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
Pb 0.03220 0.02990 0.02550 0.01497 0.00031 0.00060
Te 0.02540 0.02540 0.01640 0.01270 0.00000 0.00000
Zn 0.02320 0.03140 0.02080 0.01160 0.00230 0.00120
P 0.02640 0.02640 0.02600 0.01320 0.00000 0.00000
As 0.02640 0.02640 0.02600 0.01320 0.00000 0.00000
O1 0.03800 0.04000 0.02700 0.01700 0.00500 -0.01500
O2 0.03700 0.06700 0.02600 -0.00100 0.00900 -0.00900
O3 0.03500 0.03500 0.04200 0.01800 0.00000 0.00000
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
Pb 0.40881 0.00000 0.00000 1.00000 0.02950
Te 0.00000 0.00000 0.00000 1.00000 0.02240
Zn 0.00000 -0.24780 0.50000 1.00000 0.02600
P 0.33333 0.66667 0.53140 0.79700 0.02610
As 0.33333 0.66667 0.53140 0.20200 0.02610
O1 -0.12240 -0.21610 0.78780 1.00000 0.03600
O2 0.52510 -0.19690 0.65600 1.00000 0.05600
O3 0.33333 0.66667 0.23800 1.00000 0.03800