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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/9/01/57/9015755.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_9015755
loop_
_publ_author_name
'Galuskin, E. V.'
'Galuskina, I. O.'
'Lazic, B.'
'Armbruster, T.'
'Zadov, A. E.'
'Krzykawski, T.'
'Banasik, K.'
'Gazeev, V. M.'
'Pertsev, N. N.'
_publ_section_title
;
 Rusinovite, Ca10(Si2O7)3Cl2: a new skarn mineral from the Upper Chegem caldera,
 Kabardino-Balkaria, Northern Caucasus, Russia
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              837
_journal_page_last               844
_journal_paper_doi               10.1127/0935-1221/2011/0023-2160
_journal_volume                  23
_journal_year                    2011
_chemical_compound_source
'Upper Chegem caldera, Kabardino-Balkaria, Northern Caucasus, Russia'
_chemical_formula_sum            'Ca5 Cl O10.5 Si3'
_chemical_name_mineral           Rusinovite
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.7617
_cell_length_b                   16.9385
_cell_length_c                   17.3196
_cell_formula_units_Z            4
_cell_volume                     1103.563
_database_code_amcsd             0018806
_exptl_crystal_density_diffrn    2.938
_cod_original_cell_volume        1103.562
_cod_original_formula_sum        'Ca5 Si3 O10.5 Cl'
_cod_database_code               9015755
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,1/2+z
1/2+x,1/2-y,1/2+z
-x,y,1/2-z
1/2-x,1/2+y,1/2-z
-x,y,z
1/2-x,1/2+y,z
x,-y,-z
1/2+x,1/2-y,-z
x,y,1/2-z
1/2+x,1/2+y,1/2-z
-x,-y,1/2+z
1/2-x,1/2-y,1/2+z
-x,-y,-z
1/2-x,1/2-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
Ca1 0.00000 0.43099 0.75000 1.00000 0.01360
Ca2 0.50000 0.21839 0.60865 1.00000 0.01749
Ca3 0.00000 0.03277 0.59699 1.00000 0.02110
Si1 0.43280 -0.11805 0.55041 0.50000 0.01050
Si2 0.93000 0.11164 0.75000 0.50000 0.01390
O1 0.45100 -0.05630 0.61745 0.50000 0.01400
O2 0.50000 0.11940 0.73210 0.25000 0.02700
O3 0.00000 0.09570 0.46010 0.50000 0.01290
O4 0.42680 0.09543 0.53484 0.50000 0.01650
O5 0.00000 0.29067 0.56891 1.00000 0.01790
O6 0.94800 0.14800 0.66980 0.50000 0.02300
O7 0.00000 0.01660 0.75000 1.00000 0.01880
Cl 0.50000 0.31227 0.75000 1.00000 0.01880
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0018806
