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#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/77/9017719.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_9017719
loop_
_publ_author_name
'Nazarchuk, E. V.'
'Siidra, O. I.'
'Nekrasova, D. O.'
'Shilovskikh, V. V.'
'Borisov, A. S.'
'Avdontseva, E. Y.'
_publ_section_title
;
 Glikinite, Zn3O(SO4)2, a new anhydrous zinc oxysulfate mineral structurally
 based on OZn4 tetrahedra
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              563
_journal_page_last               567
_journal_volume                  84
_journal_year                    2020
_chemical_compound_source
'Arsenatnaya fumarole, Tolbachik volcano, Kamchatka Peninsula, Russia'
_chemical_formula_sum            'O9 S2 Zn3'
_chemical_name_mineral           Glikinite
_space_group_IT_number           11
_space_group_name_Hall           '-P 2yb'
_space_group_name_H-M_alt        'P 1 21/m 1'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 117.15
_cell_angle_gamma                90
_cell_length_a                   7.298
_cell_length_b                   6.588
_cell_length_c                   7.840
_cell_formula_units_Z            2
_cell_volume                     335.408
_database_code_amcsd             0020988
_exptl_crystal_density_diffrn    4.003
_cod_data_source_file            inputs/fixed/downloads/18/18626.cif
_cod_data_source_block           18626
_cod_original_formula_sum        'Zn3 S2 O9'
_cod_database_code               9017719
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_U_iso_or_equiv
Zn1 0.50000 0.50000 0.00000 0.01540
Zn2 -0.12520 0.75000 0.25360 0.01640
Zn3 0.65950 0.75000 0.77080 0.01720
S1 0.35280 0.75000 0.30510 0.01140
S2 0.06240 0.75000 0.71810 0.01140
O1 0.62800 0.75000 0.00960 0.00900
O2 0.19640 0.93120 0.76360 0.01700
O3 -0.07900 0.75000 0.52120 0.02600
O4 0.38800 0.57000 0.21480 0.03200
O5 0.04600 0.75000 0.83120 0.03000
O6 0.13900 0.75000 0.26200 0.07700
O7 0.47900 0.75000 0.49700 0.09100
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020988
