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#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/38/9013888.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_9013888
loop_
_publ_author_name
'Galuskin, E. V.'
'Gazeev, V. M.'
'Lazic, B.'
'Armbruster, T.'
'Galuskina, I. O.'
'Zadov, A. E.'
'Pertsev, N. N.'
'Wrzalik, R.'
'Dzierzanowski, P.'
'Gurbanov, A. G.'
'Bzowska, G.'
_publ_section_title
;Chegemite Ca7(SiO4)3(OH)2 - a new humite-group mineral from the Northern
 Caucasus, Kabardino-Balkaria, Russia Locality: in the high-temperature skarns
 in calcareous xenoliths in ignimbrites of the Upper Chegem volcanic
 structure, Northern Caucasus, Kabardino-Balkaria, Russia
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              1045
_journal_page_last               1059
_journal_paper_doi               10.1127/0935-1221/2009/0021-1962
_journal_volume                  21
_journal_year                    2009
_chemical_compound_source
'in the high-temperature skarns in calcareous xenoliths in ignimbrites of'
_chemical_formula_sum            'Ca7 F0.24 H1.76 O13.76 Si3'
_chemical_name_mineral           Chegemite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.0696
_cell_length_b                   11.3955
_cell_length_c                   23.5571
_cell_formula_units_Z            4
_cell_volume                     1360.908
_database_code_amcsd             0007334
_exptl_crystal_density_diffrn    2.886
_cod_original_formula_sum        'Ca7 Si3 O13.76 F.24 H1.76'
_cod_database_code               9013888
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,1/2+z
1/2-x,1/2+y,1/2-z
1/2-x,1/2+y,z
1/2+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_occupancy
_atom_site_U_iso_or_equiv
Ca1 0.50376 0.37818 0.17654 1.00000 0.00886
Ca2 -0.50687 0.65807 0.25000 1.00000 0.00771
Ca3 -0.00244 0.59346 0.11140 1.00000 0.00850
Ca4 0.50746 0.36064 0.02789 1.00000 0.00915
Si1 -0.07130 0.47112 0.25000 1.00000 0.00608
Si2 0.07409 0.27988 0.10707 1.00000 0.00620
O1 -0.75110 0.47020 0.25000 1.00000 0.00940
O2 -0.29810 0.83850 0.25000 1.00000 0.00830
O3 -0.20219 0.53681 0.19476 1.00000 0.00867
O4 0.75390 0.27935 0.10590 1.00000 0.00940
O5 0.20452 0.41215 0.10440 1.00000 0.00884
O6 0.29695 0.71759 0.16372 1.00000 0.00896
O7 0.20452 0.21020 0.05265 1.00000 0.00905
F8 0.75180 0.53095 0.03410 0.12000 0.02140
O8 0.75180 0.53095 0.03410 0.88000 0.02140
H1 0.91200 0.50200 0.01900 0.44000 0.05000
H2 0.61900 0.54000 0.05930 0.44000 0.05000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0007334
