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#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/00/17/1001771.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
loop_
_publ_author_name
'Gasperin, M'
_publ_section_title              'Structure cristalline de Rb Al Si3 O8'
_journal_coden_ASTM              ACBCAR
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              854
_journal_page_last               855
_journal_paper_doi               10.1107/S0567740871003078
_journal_volume                  27
_journal_year                    1971
_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'
_chemical_name_common            'Rubidium feldspar'
_chemical_name_systematic        'Rubidium tecto-alumotrisilicate'
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 116.4
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.82
_cell_length_b                   12.992
_cell_length_c                   7.161
_cell_volume                     735.0
_refine_ls_R_factor_all          0.07
_cod_database_code               1001771
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_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
loop_
_atom_type_symbol
_atom_type_oxidation_number
Rb1+ 1.000
Al3+ 3.000
Si4+ 4.000
O2- -2.000