#------------------------------------------------------------------------------
#$Date: 2015-09-06 19:43:18 +0200 (dom 06 de sep de 2015) $
#$Revision: 154984 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/00/1530025.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_1530025
loop_
_publ_author_name
'Grey, I.E.'
'Li, C.'
'Madsen, I.C.'
'Watts, J.A.'
_publ_section_title
;
 The stability and structure of Csx (Ti2-x/4) O4 0.61< x< 0.65
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              7
_journal_page_last               19
_journal_volume                  66
_journal_year                    1987
_chemical_formula_sum            'Cs0.6 O4 Ti1.84'
_chemical_name_systematic        'Cs.6 Ti1.84 O4'
_space_group_IT_number           71
_symmetry_space_group_name_Hall  '-I 2 2'
_symmetry_space_group_name_H-M   'I m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.829
_cell_length_b                   17.012
_cell_length_c                   2.962
_cell_volume                     192.942
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Grey_JSSCBI_1987_1369.cif
_cod_data_source_block           Cs0.6O4Ti1.84
_cod_original_cell_volume        192.9415
_cod_database_code               1530025
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x,-y,-z
-x,y,-z
-x,-y,-z
x,y,-z
-x,y,z
x,-y,z
x+1/2,y+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-x+1/2,y+1/2,z+1/2
x+1/2,-y+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
O2 O-2 0 0.3765 0 1 0.0
O1 O-2 0 0.2196 0 1 0.0
Ti1 Ti+4 0 0.3093 0.5 0.92 0.0
Cs1 Cs+1 0 0 0.1363 0.302 0.0
