#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/72/9017212.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_9017212
loop_
_publ_author_name
'Wierzbicka-Wieczorek M'
'Kolitsch, U.'
_publ_section_title
;
 BaYb6(Si2O7)2(Si3O10) - the first silicate containing both
 Si2O7 and Si3O10 groups: synthesis, crystal chemistry and topology
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              509
_journal_page_last               517
_journal_volume                  25
_journal_year                    2013
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ba O24 Si7 Yb6'
_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                 106.73
_cell_angle_gamma                90
_cell_length_a                   5.5173
_cell_length_b                   27.260
_cell_length_c                   6.8150
_cell_formula_units_Z            2
_cell_volume                     981.601
_database_code_amcsd             0020146
_exptl_crystal_density_diffrn    5.942
_cod_data_source_file            inputs/fixed/downloads/08/08581.cif
_cod_data_source_block           08581
_cod_original_formula_sum        'Ba Yb6 Si7 O24'
_cod_database_code               9017212
_amcsd_formula_title             BaYb6(Si2O7)2(Si3O10)
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
Ba 0.27860 0.75000 0.89394 0.00921
Yb1 0.87543 0.68428 0.22918 0.00507
Yb2 0.21851 0.59885 0.58985 0.00513
Yb3 0.81728 0.54256 0.81920 0.00526
Si1 0.27820 0.47419 0.70010 0.00470
Si2 0.32070 0.61194 0.11380 0.00500
Si3 0.74970 0.66780 0.70230 0.00480
Si4 0.45580 0.75000 0.42570 0.00480
O1 0.10960 0.45207 0.48470 0.00510
O2 0.41310 0.52557 0.67370 0.00780
O3 0.50840 0.43600 0.79600 0.01820
O4 0.11010 0.48108 0.85900 0.00970
O5 0.49100 0.65880 0.10140 0.01300
O6 0.13980 0.59528 -0.10960 0.00710
O7 0.15080 0.62316 0.27050 0.00880
O8 0.88100 0.69510 0.91550 0.01070
O9 0.62210 0.61575 0.72560 0.00800
O10 0.94520 0.66496 0.56290 0.00780
O11 0.49950 0.70217 0.57760 0.00880
O12 0.65010 0.75000 0.29000 0.00520
O13 0.16050 0.75000 0.28750 0.00650
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020146
