#------------------------------------------------------------------------------
#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/37/9013789.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_9013789
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     BaKYSi2O7
_chemical_formula_sum            'Ba K O7 Si2 Y'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.61
_cell_angle_gamma                90
_cell_length_a                   9.775
_cell_length_b                   5.718
_cell_length_c                   13.096
_cell_formula_units_Z            4
_cell_volume                     708.312
_database_code_amcsd             0006290
_exptl_crystal_density_diffrn    4.065
_cod_original_formula_sum        'Ba K Y Si2 O7'
_cod_database_code               9013789
_amcsd_formula_title             BaKYSi2O7
loop_
_space_group_symop_operation_xyz
x,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
Ba 0.63676 0.76922 0.17212 0.00926
K 0.13201 0.26406 0.13885 0.01916
Y 0.76069 0.24063 0.02162 0.00554
Si1 0.44792 0.27157 0.12132 0.00521
Si2 0.97508 0.75487 0.14618 0.00563
O1 0.36322 0.08040 0.03933 0.01260
O2 0.39106 0.53490 0.09229 0.01260
O3 0.61843 0.25820 0.13816 0.00880
O4 0.41496 0.20310 0.23643 0.01080
O5 0.07325 0.76080 0.06444 0.01230
O6 0.86372 0.53810 0.12693 0.01100
O7 0.89240 0.00070 0.15120 0.00910
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0006290
