#------------------------------------------------------------------------------
#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/37/9013788.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_9013788
loop_
_publ_author_name
'Kolitsch, U.'
'Wierzbicka-Wieczorek M'
'Tillmanns, E.'
_publ_section_title
;Crystal chemistry and topology of two flux-grown yttrium silicates, BaKYSi2O7
 and Cs3YSi8O19 Locality: synthetic
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              421
_journal_page_last               431
_journal_paper_doi               10.3749/canmin.47.2.421
_journal_volume                  47
_journal_year                    2009
_chemical_compound_source        Synthetic
_chemical_formula_structural     Cs3YSi8O19
_chemical_formula_sum            'Cs3 O19 Si8 Y'
_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                   11.476
_cell_length_b                   7.059
_cell_length_c                   26.971
_cell_formula_units_Z            4
_cell_volume                     2184.896
_database_code_amcsd             0006289
_exptl_crystal_density_diffrn    3.089
_cod_original_formula_sum        'Cs3 Y Si8 O19'
_cod_database_code               9013788
_amcsd_formula_title             Cs3YSi8O19
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
Cs1 0.08478 0.25000 0.45288 1.00000 0.02132
Cs2 0.44859 0.25000 0.45290 1.00000 0.02050
Cs3a -0.06384 0.25000 0.27777 0.75500 0.05950
Cs3b 0.05130 0.25000 0.23180 0.10000 0.08400
Cs3c -0.37170 0.25000 0.31120 0.08200 0.14100
Cs3d -0.24470 0.03620 0.30260 0.03140 0.05200
Y 0.27068 0.75000 0.44432 1.00000 0.00861
Sil 0.25429 0.03007 0.33403 1.00000 0.00964
Si2 0.06203 0.25000 0.79791 1.00000 0.00855
Si3 -0.05905 0.25000 0.69138 1.00000 0.00923
Si4 0.04507 0.25000 0.58776 1.00000 0.00940
Si5 -0.24528 0.03584 0.43776 1.00000 0.00959
Si6 0.42692 0.25000 0.60258 1.00000 0.01003
O1 0.26638 -0.00410 0.39112 1.00000 0.02160
O2 0.24990 0.25000 0.31699 1.00000 0.01610
O3 0.13989 0.06100 0.80173 1.00000 0.02590
O4 -0.13496 0.06000 0.68895 1.00000 0.02980
O5 0.00780 0.25000 0.74333 1.00000 0.01990
O6 -0.03930 0.25000 0.83851 1.00000 0.02140
O7 0.03600 0.25000 0.64806 1.00000 0.03370
O8 -0.07510 0.25000 0.55988 1.00000 0.02050
O9 -0.12050 -0.06420 0.42692 1.00000 0.02560
O10 0.27715 -0.03260 0.50513 1.00000 0.01830
O11 0.34430 0.06330 0.59686 1.00000 0.02100
O12 -0.23220 0.25000 0.41536 1.00000 0.01620
O13 0.53380 0.25000 0.56619 1.00000 0.02280
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0006289
