#------------------------------------------------------------------------------
#$Date: 2015-09-12 18:41:46 +0200 (Sat 12 de Sep de 2015) $
#$Revision: 156218 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/09/1530975.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_1530975
loop_
_publ_author_name
'Watanabe, M.'
'Tsukimura, K.'
'Fujiki, Y.'
'Kanazawa, Y.'
_publ_section_title
;
 The effects of cation substitution on the Hollandite-type structure
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              56
_journal_page_last               63
_journal_volume                  66
_journal_year                    1987
_chemical_formula_sum            'Al1.47 O16 Rb1.47 Ti6.53'
_chemical_name_systematic        'Rb1.47 (Al1.47 Ti6.53) O16'
_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                   10.11
_cell_length_b                   10.11
_cell_length_c                   2.9375
_cell_volume                     300.248
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Watanabe_JSSCBI_1987_1372.cif
_cod_data_source_block           Al1.47O16Rb1.47Ti6.53
_cod_database_code               1530975
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
Al1 Al+3 0.3507 0.1669 0 0.18 0.0
O1 O-2 0.1562 0.2073 0 1 0.0
O2 O-2 0.5398 0.1655 0 1 0.0
Rb1 Rb+1 0 0 0.6214 0.37 0.0
Ti1 Ti+4 0.3507 0.1669 0 0.82 0.0
