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#$Date: 2013-03-29 12:50:04 +0200 (Fri, 29 Mar 2013) $
#$Revision: 77877 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/11/9011105.cif $
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#
# 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_9011105
loop_
_publ_author_name
'Smolin, Y. I.'
'Shepelev, Y. F.'
_publ_section_title
;
 The crystal structures of the rare earth pyrosilicates
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              484
_journal_page_last               492
_journal_volume                  26
_journal_year                    1970
_chemical_formula_structural     Er2Si2O7
_chemical_formula_sum            'Er2 O7 Si2'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2bc'
_symmetry_space_group_name_H-M   'P 1 1 21/b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                96
_cell_length_a                   4.683
_cell_length_b                   5.556
_cell_length_c                   10.79
_cell_volume                     279.204
_exptl_crystal_density_diffrn    5.979
_[local]_cod_chemical_formula_sum_orig 'Er2 Si2 O7'
_cod_database_code               9011105
_amcsd_database_code             AMCSD#0009300
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,1/2+y,1/2-z
-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
Er 0.88829 0.09318 0.34934 0.00367
Si 0.36010 0.64420 0.38710 0.00418
O1 0.50000 0.50000 0.50000 0.01153
O2 0.20520 0.86530 0.44860 0.00811
O3 0.12350 0.45830 0.31910 0.00798
O4 0.61840 0.75220 0.29840 0.00709