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#$Date: 2012-02-28 17:44:07 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35913 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/29/9012901.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_9012901
loop_
_publ_author_name
'Yakubovich, O. V.'
'Massa, V.'
'Pekov, I. V.'
_publ_section_title
;
 Crystal structure of the new mineral bushmakinite,
 Pb2{(Al,Cu)[PO4][(V,Cr,P)O4](OH)}
 Locality: Berezov gold ore deposit, Middle Urals, Russia
 Note: O2z changed to reproduce its bond lengths
;
_journal_name_full               'Doklady Earth Sciences'
_journal_page_first              100
_journal_page_last               105
_journal_volume                  382
_journal_year                    2002
_chemical_formula_sum            'Al0.74 Cr0.26 Cu0.26 H O9 P1.22 Pb2 V0.52'
_chemical_name_mineral           Bushmakinite
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 111.97
_cell_angle_gamma                90
_cell_length_a                   7.759
_cell_length_b                   5.782
_cell_length_c                   8.775
_cell_volume                     365.080
_exptl_crystal_density_diffrn    6.128
_[local]_cod_chemical_formula_sum_orig
'Pb2 (Al.74 Cu.26) V.52 Cr.26 P1.22 O9 H'
_cod_database_code               9012901
_amcsd_database_code             AMCSD#0013822
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,1/2-y,z
-x,1/2+y,-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
Pb1 0.22340 0.25000 0.26240 1.00000 0.03340
Pb2 0.79920 0.25000 0.40380 1.00000 0.03160
AlM 0.50000 0.00000 0.00000 0.74000 0.02420
CuM 0.50000 0.00000 0.00000 0.26000 0.02420
VT1 0.06980 0.25000 0.82970 0.52000 0.01890
CrT1 0.06980 0.25000 0.82970 0.26000 0.01890
PT1 0.06980 0.25000 0.82970 0.22000 0.01890
PT2 0.46930 0.25000 0.67030 1.00000 0.01950
O2 0.27200 0.25000 0.54800 1.00000 0.03200
O3 0.30800 0.25000 0.95200 1.00000 0.02800
O4 -0.04700 0.25000 0.95200 1.00000 0.03000
O5 0.00800 0.01400 0.70600 1.00000 0.02500
O6 0.49900 0.02600 0.78000 1.00000 0.02400
O7 0.60700 0.25000 0.57700 1.00000 0.03900
O-H 0.66500 0.25000 0.07000 1.00000 0.02300