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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/93/1539360.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1539360
loop_
_publ_author_name
'Yakubovich, O.V.'
'Voloshin, A.V.'
'Pakhomovskii, Ya.A.'
'Simonov, M.A.'
_publ_section_title
;
 Refined crystal structure of thalenite
;
_journal_name_full               Kristallografiya
_journal_page_first              605
_journal_page_last               608
_journal_volume                  33
_journal_year                    1988
_chemical_formula_sum            'Er0.3 F O10 Si3 Y2.7'
_chemical_name_systematic        '(Y2.7 Er0.3) (Si3 O10) F'
_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                 97.24
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.318
_cell_length_b                   11.134
_cell_length_c                   10.379
_cell_volume                     838.924
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Yakubovich_KRISAJ_1988_1583.cif
_cod_data_source_block           Er0.3F1O10Si3Y2.7
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'Er0.3 F1 O10 Si3 Y2.7'
_cod_database_code               1539360
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z+1/2
-x,-y,-z
x-1/2,-y-1/2,z-1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
O9 O-2 0.2075 0.144 0.6974 1 0.0
O4 O-2 0.3193 0.1089 0.1231 1 0.0
Er1 Er+3 0.90512 0.22965 0.31144 0.1 0.0
Y1 Y+3 0.90512 0.22965 0.31144 0.9 0.0
O5 O-2 0.3434 0.3238 0.2313 1 0.0
Si1 Si+4 0.2325 0.2453 0.1112 1 0.0
O6 O-2 0.0244 0.4121 0.371 1 0.0
Er3 Er+3 0.30073 0.40225 0.4965 0.1 0.0
O3 O-2 0.4662 0.0226 0.3611 1 0.0
F1 F-1 0.1943 0.2162 0.4403 1 0.0
O8 O-2 0.1864 0.3941 0.6922 1 0.0
Y3 Y+3 0.30073 0.40225 0.4965 0.9 0.0
O7 O-2 0.0128 0.0243 0.3611 1 0.0
Si3 Si+4 0.0231 0.0861 0.7408 1 0.0
O2 O-2 0.0164 0.2286 0.1211 1 0.0
O1 O-2 0.2698 0.3192 0.9832 1 0.0
Y2 Y+3 0.2371 0.53235 -0.01781 0.9 0.0
Si2 Si+4 0.4941 0.0383 0.208 1 0.0
Er2 Er+3 0.2371 0.53235 -0.01781 0.1 0.0
O10 O-2 0.0403 0.0506 0.8919 1 0.0
