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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/9/01/64/9016471.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_9016471
loop_
_publ_author_name
'Galuskin, E. V.'
'Gfeller, F.'
'Savelyeva, V. B.'
'Armbruster, T.'
'Lazic, B.'
'Galuskina, I. O.'
'Tobbens, D. M.'
'Zadov, A. E.'
'Dzierzanowski, P.'
'Pertsev, N. N.'
'Gazeev, V. M.'
_publ_section_title
;
 Pavlovskyite Ca8(SiO4)2(Si3O10): a new mineral of altered silicate-carbonate
 xenoliths from the two Russian type localities, Birkhin massif,
 Baikal Lake area and Upper Chegem caldera, North Caucasus
;
_journal_name_full               'American Mineralogist'
_journal_page_first              503
_journal_page_last               512
_journal_paper_doi               10.2138/am.2012.3970
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source
'Birkhin massif, Baikal Lake area, North Caucasus, Russia'
_chemical_formula_sum            'Ca8 O18 Si5'
_chemical_name_mineral           Pavlovskyite
_space_group_IT_number           60
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.08510
_cell_length_b                   11.4165
_cell_length_c                   28.6408
_cell_formula_units_Z            4
_cell_volume                     1662.714
_database_code_amcsd             0018883
_exptl_crystal_density_diffrn    2.992
_cod_original_formula_sum        'Ca8 Si5 O18'
_cod_database_code               9016471
loop_
_space_group_symop_operation_xyz
x,y,z
x,-y,1/2+z
-x,y,1/2-z
1/2-x,1/2+y,z
1/2+x,1/2-y,-z
1/2+x,1/2+y,1/2-z
1/2-x,1/2-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_U_iso_or_equiv
Ca1 0.49692 0.71708 0.44226 0.01152
Ca2 0.00000 0.50000 0.50000 0.01216
Ca3 0.99397 0.48889 0.37768 0.01380
Ca4 0.50366 0.28416 0.33030 0.01147
Ca5 0.00000 0.51645 0.25000 0.01329
Si1 0.57130 0.40471 0.44237 0.01033
Si2 0.44100 0.59487 0.32685 0.01072
Si3 0.50000 0.76288 0.25000 0.01040
O1 0.70490 0.53615 0.44034 0.01290
O2 0.70270 0.33580 0.39786 0.01380
O3 0.70180 0.34189 0.48832 0.01290
O4 0.25230 0.40510 0.44082 0.01240
O5 0.30150 0.65690 0.37139 0.01410
O6 0.30920 0.46760 0.32021 0.01420
O7 0.31180 0.67239 0.28132 0.01230
O8 0.75700 0.59920 0.32323 0.01290
O9 0.67450 0.84310 0.28283 0.01680
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0018883
