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#$Date: 2015-09-12 18:41:56 +0200 (Sat 12 de Sep de 2015) $
#$Revision: 156219 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/09/1530976.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_1530976
loop_
_publ_author_name
'Watanabe, M.'
'Ohachi, T.'
'Fujiki, Y.'
'Yoshikado, S.'
_publ_section_title
;
 Structural Aspects of the New One-Dimensional Ionic Conductors: Ax Ga8
 Ga8+x Ti16-x O56 (A=K,Rb and Cs, x<=2)
;
_journal_name_full               'Solid State Ionics'
_journal_page_first              257
_journal_page_last               261
_journal_volume                  28
_journal_year                    1988
_chemical_formula_sum            'Ga17.28 O56 Rb1.26 Ti14.72'
_chemical_name_systematic        'Rb1.26 Ga17.28 Ti14.72 O56'
_space_group_IT_number           87
_symmetry_space_group_name_Hall  '-I 4'
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   18.142
_cell_length_b                   18.142
_cell_length_c                   2.9967
_cell_volume                     986.310
_citation_journal_id_ASTM        SSIOD3
_cod_data_source_file            Watanabe_SSIOD3_1988_1755.cif
_cod_data_source_block           Ga17.28O56Rb1.26Ti14.72
_cod_original_cell_volume        986.3104
_cod_database_code               1530976
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
x+1/2,y+1/2,z+1/2
-y+1/2,x+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
y+1/2,-x+1/2,z+1/2
-x+1/2,-y+1/2,-z+1/2
y+1/2,-x+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-y+1/2,x+1/2,-z+1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
O4 O-2 0.1313 0.2661 0 1 0.0
Ti2 Ti+4 0.0356 0.22122 0 0.64 0.0
Ga1 Ga+3 0.16236 0.11823 0.5 1 0.0
Ga2 Ga+3 0.31091 0.2033 0 0.8 0.0
Ti1 Ti+4 0.31091 0.2033 0 0.2 0.0
O2 O-2 0.1498 0.3957 0.5 1 0.0
Ga3 Ga+3 0.0356 0.22122 0 0.36 0.0
Rb1 Rb+1 0 0 0.227 0.315 0.0
Ti3 Ti+4 0.54293 0.11912 0 1 0.0
O1 O-2 0.0197 0.411 0 1 0.0
O7 O-2 0.1687 0.0615 0 1 0.0
O6 O-2 0.067 0.1557 0.5 1 0.0
O5 O-2 0.2367 0.1891 0.5 1 0.0
O3 O-2 0.0017 0.2796 0.5 1 0.0
