#------------------------------------------------------------------------------
#$Date: 2009-05-13 21:45:18 +0300 (Wed, 13 May 2009) $
#$Revision: 720 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1001771.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_1001771
_chemical_name_systematic          'Rubidium tecto-alumotrisilicate'
_chemical_name_mineral             'Rubidiu'
_chemical_compound_source
;
sanidine - artificial from gel at 873 K, 1 kbar, for 7 d
;
_chemical_formula_structural       'Rb (Al Si3 O8)'
_chemical_formula_sum              'Al O8 Rb Si3'
_publ_section_title                'Structure cristalline de Rb Al Si3 O8'
loop_
_publ_author_name                  'Gasperin, M'
_journal_name_full                 'Acta Crystallographica B (24,1968-38,1982)'
_journal_coden_ASTM                ACBCAR
_journal_volume                    27
_journal_year                      1971
_journal_page_first                854
_journal_page_last                 855
_cell_length_a                     8.82
_cell_length_b                     12.992
_cell_length_c                     7.161
_cell_angle_alpha                  90
_cell_angle_beta                   116.4
_cell_angle_gamma                  90
_cell_volume                       735.0
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'C 1 2/m 1'
_symmetry_Int_Tables_number        12
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,-y,z'
  '-x,-y,-z'
  '-x,y,-z'
  '1/2+x,1/2+y,z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2-y,-z'
  '1/2-x,1/2+y,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Rb1+   1.000
  Al3+   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
  Rb1   Rb1+   4 i 0.2958(2) 0. 0.1468(3) 1.  0 d
  Al1   Al3+   8 j 0.0104(3) 0.1904(2) 0.2227(4) 0.25  0 d
  Al2   Al3+   8 j 0.7227(3) 0.1195(2) 0.3440(4) 0.25  0 d
  Si1   Si4+   8 j 0.0104(3) 0.1904(2) 0.2227(4) 0.75  0 d
  Si2   Si4+   8 j 0.7227(3) 0.1195(2) 0.3440(4) 0.75  0 d
  O1    O2-    4 g 0. 0.1525(9) 0. 1.  0 d
  O2    O2-    4 i 0.664(1) 0. 0.283(2) 1.  0 d
  O3    O2-    8 j 0.832(1) 0.1596(6) 0.226(1) 1.  0 d
  O4    O2-    8 j 0.0464(9) 0.3145(6) 0.263(1) 1.  0 d
  O5    O2-    8 j 0.1682(9) 0.1283(6) 0.403(1) 1.  0 d
_refine_ls_R_factor_all            0.07