#------------------------------------------------------------------------------
#$Date: 2023-03-27 08:00:38 +0100 (Mon, 27 Mar 2023) $
#$Revision: 282074 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/76/9017693.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_9017693
loop_
_publ_author_name
'Pekov, I. V.'
'Zubkova, N. V.'
'Yapaskurt, V. O.'
'Belakovskiy, D. I.'
'Vigasina, M. F.'
'Sidorov, E. G.'
'Pushcharovsky, D. Y.'
_publ_section_title
;
 New arsenate minerals from the Arsenatnaya fumarole, Tolbachik volcano,
 Kamchatka, Russia. III. Popovite, Cu5O2(AsO4)2
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              133
_journal_page_last               143
_journal_volume                  79
_journal_year                    2015
_chemical_compound_source
'Arsenatnaya fumarole, Tolbachik volcano, Kamchatka, Russia'
_chemical_formula_sum            'As1.95 Cu4.99 O10 S0.02 V0.01 Zn0.04'
_chemical_name_mineral           Popovite
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                100.064
_cell_angle_beta                 96.351
_cell_angle_gamma                95.100
_cell_length_a                   5.1450
_cell_length_b                   6.2557
_cell_length_c                   6.2766
_cell_volume                     196.474
_database_code_amcsd             0020397
_exptl_crystal_density_diffrn    5.299
_cod_data_source_file            inputs/fixed/downloads/18/18600.cif
_cod_data_source_block           18600
_cod_original_formula_sum        'Cu4.99 Zn.04 As1.95 S.02 V.01 O10'
_cod_database_code               9017693
loop_
_space_group_symop_operation_xyz
x,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
Cu1 0.00000 0.00000 0.50000 0.99800 0.00890
Zn1 0.00000 0.00000 0.50000 0.00800 0.00890
Cu2 0.14290 0.66303 0.72409 0.99800 0.01060
Zn2 0.14290 0.66303 0.72409 0.00800 0.01060
Cu3 0.74550 0.87429 0.94844 0.99800 0.01050
Zn3 0.74550 0.87429 0.94844 0.00800 0.01050
As 0.40982 0.66287 0.27191 0.97500 0.00740
S 0.40982 0.66287 0.27191 0.01000 0.00740
V 0.40982 0.66287 0.27191 0.00500 0.00740
O1 0.97940 0.06040 0.21590 1.00000 0.00630
O2 0.41940 0.81130 0.06990 1.00000 0.00850
O3 0.20170 0.43930 0.17230 1.00000 0.01090
O4 0.29460 0.80330 0.48910 1.00000 0.00910
O5 0.71760 0.61000 0.34650 1.00000 0.00970
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020397