#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/36/1533696.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_1533696
loop_
_publ_author_name
'Tripathi, A.'
'Medvedev, D.G.'
'Delgado, J.'
'Clearfield, A.'
_publ_section_title
;
 Optimizing Cs-exchange in titanosilicate with the mineral
 pharmacosiderite topology: framework substitution of Nb and Ge
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              2903
_journal_page_last               2915
_journal_volume                  177
_journal_year                    2004
_chemical_formula_sum            'Cs3 Ge0.97 H9 O20 Si2.19 Ti3.84'
_chemical_name_systematic
;
H Cs3 (Ti O)3.84 (Ge O)0.16 (Si O4)2.19 (Ge O4)0.81 (H2 O)4
;
_space_group_IT_number           215
_symmetry_space_group_name_Hall  'P -4 2 3'
_symmetry_space_group_name_H-M   'P -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   7.8577
_cell_length_b                   7.8577
_cell_length_c                   7.8577
_cell_volume                     485.162
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Tripathi_JSSCBI_2004_1820.cif
_cod_data_source_block           H9Cs3Ge0.97O20Si2.19Ti3.84
_cod_original_cell_volume        485.1615
_cod_original_formula_sum        'H9 Cs3 Ge0.97 O20 Si2.19 Ti3.84'
_cod_database_code               1533696
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
z,x,y
x,-z,-y
-z,-x,y
-x,z,-y
z,-x,-y
-x,-z,y
-z,x,-y
x,z,y
y,z,x
y,-z,-x
-z,-y,x
-y,z,-x
z,y,x
-y,-z,x
-z,y,-x
z,-y,-x
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 0.115 0.115 0.885 1 0.0
Ge1 Ge+4 0.1435 0.1435 0.1435 0.04 0.0
Cs1 Cs+1 0.5 0.5 0.0644 0.5 0.0
Si1 Si+4 0.5 0 0 0.73 0.0
O3 O-2 0.3424 0.3424 0.6576 1 0.0
Ge2 Ge+4 0.5 0 0 0.27 0.0
Ti1 Ti+4 0.1435 0.1435 0.1435 0.96 0.0
O1 O-2 0.3844 0.1244 0.1244 1 0.0
