#------------------------------------------------------------------------------
#$Date: 2009-11-23 07:50:56 +0200 (Mon, 23 Nov 2009) $
#$Revision: 903 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9011817.cif $
#------------------------------------------------------------------------------
#
# 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_9011817
loop_
_publ_author_name
'Kyono, A.'
'Kimata, M.'
_publ_section_title
;
 Refinement of the crystal structure of a synthetic non-stoichiometric
 Rb-feldspar
 Locality: synthetic
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              523
_journal_page_last               531
_journal_volume                  65
_journal_year                    2001
_chemical_formula_sum            'Al1.062 O8 Rb0.811 Si3'
_chemical_name_mineral           Rubicline
_space_group_IT_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                 116.11
_cell_angle_gamma                90
_cell_length_a                   8.839
_cell_length_b                   13.035
_cell_length_c                   7.175
_cell_volume                     742.316
_[local]_cod_data_source_file    11430.cif
_[local]_cod_data_source_block   global
_[local]_cod_chemical_formula_sum_orig 'Rb.811 Al1.062 Si3 O8'
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,z
1/2+x,1/2-y,z
-x,y,-z
1/2-x,1/2+y,-z
-x,-y,-z
1/2-x,1/2-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Rb 0.29600 0.00000 0.14600 0.81100 0.04540
Al 0.29600 0.00000 0.14600 0.06200 0.04540
SiT1 0.01060 0.19130 0.22230 0.75500 0.04740
AlT2 0.01060 0.19130 0.22230 0.24500 0.04740
SiT2 0.72350 0.11940 0.34460 0.74500 0.04920
AlT2 0.72350 0.11940 0.34460 0.25500 0.04940
OA1 0.00000 0.15570 0.00000 1.00000 0.06300
OA2 0.66620 0.00000 0.28340 1.00000 0.04900
OB 0.83110 0.15970 0.22450 1.00000 0.06450
OC 0.04440 0.31300 0.25850 1.00000 0.06460
OD 0.16920 0.12920 0.40260 1.00000 0.05600
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Rb 0.03560 0.06410 0.03960 0.00000 0.01930 0.00000
Al 0.03560 0.06410 0.03960 0.00000 0.01930 0.00000
SiT1 0.04510 0.05440 0.04780 -0.00260 0.02500 -0.00080
AlT2 0.04510 0.05440 0.04780 -0.00260 0.02500 -0.00080
SiT2 0.04800 0.05650 0.05050 -0.00160 0.02850 0.00300
AlT2 0.04800 0.05650 0.05050 -0.00160 0.02850 0.00300
OA1 0.05000 0.07450 0.06520 0.00000 0.02620 0.00000
OA2 0.06110 0.05850 0.03880 0.00000 0.03240 0.00000
OB 0.04550 0.09070 0.05950 0.00020 0.02520 -0.00360
OC 0.08270 0.07720 0.04130 0.01070 0.03410 -0.00040
OD 0.06170 0.05380 0.06710 0.00120 0.04160 0.00020