#------------------------------------------------------------------------------
#$Date: 2024-05-23 11:45:01 +0200 (Thu 23 de May de 2024) $
#$Revision: 292002 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/52/9015267.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_9015267
loop_
_publ_author_name
'Zelenski, M. E.'
'Zubkova, N. V.'
'Pekov, I. V.'
'Polekhovsky, Y. S.'
'Pushcharovsky, D. Y.'
_publ_section_title
;
 Cupromolybdite, Cu3O(MoO4)2, a new fumarolic mineral from
 the Tolbachik volcano, Kamchatka Peninsula, Russia
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              749
_journal_page_last               757
_journal_paper_doi               10.1127/0935-1221/2012/0024-2221
_journal_volume                  24
_journal_year                    2012
_chemical_compound_source
'the Tolbachik volcano, Kamchatka Peninsula, Russia'
_chemical_formula_sum            'Cu3 Mo1.94 O9 S0.06'
_chemical_name_mineral           Cupromolybdite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.6638
_cell_length_b                   6.8670
_cell_length_c                   14.5554
_cell_formula_units_Z            4
_cell_volume                     766.012
_database_code_amcsd             0019362
_exptl_crystal_density_diffrn    4.532
_cod_original_formula_sum        'Mo1.94 S.06 Cu3 O9'
_cod_database_code               9015267
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,z
-x,1/2+y,-z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2-z
1/2+x,y,1/2-z
1/2-x,-y,1/2+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
Mo1 0.26159 0.25000 0.16717 1.00000 0.01409
Mo2 0.15141 0.75000 0.38593 0.94000 0.01329
S2 0.15141 0.75000 0.38593 0.06000 0.01329
Cu1 0.00000 0.00000 0.00000 1.00000 0.01350
Cu2 0.16122 0.75000 0.14124 1.00000 0.01502
Cu3 0.20362 0.25000 0.43602 1.00000 0.01650
O1 0.08970 0.75000 0.01410 1.00000 0.01380
O2 0.19730 0.75000 0.26930 1.00000 0.03780
O3 0.43030 0.75000 0.09700 1.00000 0.03770
O4 0.24440 0.96000 0.43609 1.00000 0.02150
O5 0.13940 0.03880 0.13535 1.00000 0.02070
O6 0.29620 0.25000 0.28310 1.00000 0.03110
O7 0.46510 0.25000 0.11120 1.00000 0.02800
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0019362
