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#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1001838.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
_chemical_name_systematic          'Yttrium silicate oxide'
_chemical_formula_structural       'Y2 Si O5'
_chemical_formula_sum              'O5 Si Y2'
_publ_section_title                'Structure de Y2 Si O5'
loop_
_publ_author_name
  'Michel, C'
  'Buisson, G'
  'Bertaut, E F'
_journal_name_full
;
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences,
Serie B
;
_journal_coden_ASTM                CHDBAN
_journal_volume                    264
_journal_year                      1967
_journal_page_first                397
_journal_page_last                 399
_cell_length_a                     14.59
_cell_length_b                     10.52
_cell_length_c                     6.82
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  122.25
_cell_volume                       885.3
_cell_formula_units_Z              8
_exptl_crystal_density_meas        4
_symmetry_space_group_name_H-M     'B 1 1 2/b'
_symmetry_Int_Tables_number        15
_symmetry_cell_setting             monoclinic
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_type_symbol
_atom_type_oxidation_number
  Y3+    3.000
  Si4+   4.000
  O2-   -2.000
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
_refine_ls_R_factor_all            0.114