#------------------------------------------------------------------------------
#$Date: 2023-05-10 20:44:19 +0300 (Wed, 10 May 2023) $
#$Revision: 283658 $
#$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)}
 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_compound_source
'Berezov gold ore deposit, Middle Urals, Russia'
_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_formula_units_Z            2
_cell_length_a                   7.759
_cell_length_b                   5.782
_cell_length_c                   8.775
_cell_volume                     365.080
_database_code_amcsd             0012510
_exptl_crystal_density_diffrn    6.128
_cod_original_formula_sum        'Pb2 (Al.74 Cu.26) V.52 Cr.26 P1.22 O9 H'
_cod_database_code               9012901
loop_
_space_group_symop_operation_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
_atom_site_type_symbol
_atom_site_attached_hydrogens
Pb1 0.22340 0.25000 0.26240 1.00000 0.03340 Pb 0
Pb2 0.79920 0.25000 0.40380 1.00000 0.03160 Pb 0
AlM 0.50000 0.00000 0.00000 0.74000 0.02420 Al 0
CuM 0.50000 0.00000 0.00000 0.26000 0.02420 Cu 0
VT1 0.06980 0.25000 0.82970 0.52000 0.01890 V 0
CrT1 0.06980 0.25000 0.82970 0.26000 0.01890 Cr 0
PT1 0.06980 0.25000 0.82970 0.22000 0.01890 P 0
PT2 0.46930 0.25000 0.67030 1.00000 0.01950 P 0
O2 0.27200 0.25000 0.54800 1.00000 0.03200 O 0
O3 0.30800 0.25000 0.95200 1.00000 0.02800 O 0
O4 -0.04700 0.25000 0.95200 1.00000 0.03000 O 0
O5 0.00800 0.01400 0.70600 1.00000 0.02500 O 0
O6 0.49900 0.02600 0.78000 1.00000 0.02400 O 0
O7 0.60700 0.25000 0.57700 1.00000 0.03900 O 0
O-H 0.66500 0.25000 0.07000 1.00000 0.02300 O 1
loop_
_cod_changelog_entry_id
_cod_changelog_entry_author
_cod_changelog_entry_date
_cod_changelog_entry_text
1
;cod-tools version 3.8.0
Id: cif_guess_AMCSD_atom_types 9574 2023-05-10 09:00:05Z saulius
;
2023-05-10T18:54:21+03:00
;Derived atom types and hydrogen counts
from atom names that follow the AMCSD naming convention
(Wat == water, O-H == hydroxyl).
;
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0012510