#------------------------------------------------------------------------------
#$Date: 2015-01-27 20:58:39 +0100 (Tue 27 de Jan de 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/18/1001838.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_1001838
loop_
_publ_author_name
'Michel, C'
'Buisson, G'
'Bertaut, E F'
_publ_section_title              'Structure de Y2 Si O5'
_journal_coden_ASTM              CHDBAN
_journal_name_full
;
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences,
Serie B
;
_journal_page_first              397
_journal_page_last               399
_journal_volume                  264
_journal_year                    1967
_chemical_formula_structural     'Y2 Si O5'
_chemical_formula_sum            'O5 Si Y2'
_chemical_name_systematic        'Yttrium silicate oxide'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-B 2b'
_symmetry_space_group_name_H-M   'B 1 1 2/b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                122.25
_cell_formula_units_Z            8
_cell_length_a                   14.59
_cell_length_b                   10.52
_cell_length_c                   6.82
_cell_volume                     885.3
_exptl_crystal_density_meas      4
_refine_ls_R_factor_all          0.114
_cod_database_code               1001838
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,1/2-y,z
-x,-y,-z
x,1/2+y,-z
1/2+x,y,1/2+z
1/2-x,1/2-y,1/2+z
1/2-x,-y,1/2-z
1/2+x,1/2+y,1/2-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Y1 Y3+ 8 f 0.537(1) -0.031(1) 0.241(2) 1. 0 d
Y2 Y3+ 8 f 0.357(1) -0.335(2) 0.880(2) 1. 0 d
Si1 Si4+ 8 f 0.316(3) -0.304(5) 0.414(6) 1. 0 d
O1 O2- 8 f 0.374(6) -0.334(10) 0.213(13) 1. 0 d
O2 O2- 8 f 0.407(6) -0.156(10) 0.492(10) 1. 0 d
O3 O2- 8 f 0.204(6) -0.325(10) 0.372(10) 1. 0 d
O4 O2- 8 f 0.312(6) -0.404(10) 0.594(10) 1. 0 d
O5 O2- 8 f 0.519(6) -0.106(10) 0.915(10) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Y3+ 3.000
Si4+ 4.000
O2- -2.000
