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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/9/01/60/9016047.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_9016047
loop_
_publ_author_name
'Wierzbicka-Wieczorek M'
'Kolitsch, U.'
'Tillmanns, E.'
_publ_section_title
;
 Synthesis and structural study of five new trisilicates, BaREE2Si3O10
 (REE = Gd, Er, Yb, Sc) and SrY2Si3O10,
 including a review on the geometry of the Si3O10 unit
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              245
_journal_page_last               258
_journal_paper_doi               10.1127/0935-1221/2010/0022-1969
_journal_volume                  22
_journal_year                    2010
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ba Er2 O10 Si3'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.47
_cell_angle_gamma                90
_cell_length_a                   5.389
_cell_length_b                   12.163
_cell_length_c                   6.840
_cell_formula_units_Z            2
_cell_volume                     429.941
_database_code_amcsd             0017780
_exptl_crystal_density_diffrn    5.531
_cod_original_formula_sum        'Ba Er2 Si3 O10'
_cod_database_code               9016047
_amcsd_formula_title             BaEr2Si3O10
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 0.76044 0.25000 0.02001 0.00912
Er 0.15699 0.09915 0.68359 0.00606
Si1 0.58210 0.25000 0.48901 0.00550
Si2 0.30418 0.06145 0.21296 0.00539
O1 0.36640 0.25000 0.61200 0.00550
O2 0.87640 0.25000 0.63490 0.00690
O3 0.54860 0.14280 0.33910 0.01000
O4 0.43240 -0.05483 0.19070 0.00980
O5 0.16530 0.12321 0.00350 0.00970
O6 0.10070 0.05103 0.35100 0.00870
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0017780
