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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/18/1541868.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_1541868
loop_
_publ_author_name
'Sandomirskii, P.A.'
'Evstigneyeva, T.'
'Simonov, M.A.'
'Belov, N.V.'
_publ_section_title
;
 Crystal structure of Na2 Ti Zn2 Ge O4 O3
;
_journal_name_full
'Zhurnal Strukturnoi Khimii (Issue-No. from 1981)'
_journal_page_first              1080
_journal_page_last               1083
_journal_volume                  17
_journal_year                    1976
_chemical_formula_sum            'Ge Na2 O7 Ti Zn2'
_chemical_name_systematic        'Na2 Zn2 Ti Ge O7'
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   20.453
_cell_length_b                   11.844
_cell_length_c                   5.221
_cell_volume                     1264.763
_citation_journal_id_ASTM        ZSTKAI
_cod_data_source_file            Sandomirskii_ZSTKAI_1976_578.cif
_cod_data_source_block           Ge1Na2O7Ti1Zn2
_cod_original_formula_sum        'Ge1 Na2 O7 Ti1 Zn2'
_cod_database_code               1541868
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z
-x,y+1/2,-z+1/2
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z
x,-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
Zn2 Zn+2 0.42791 0.0809 0.2126 1 0.0
O2 O-2 0.2778 0.433 0.1046 1 0.0
O6 O-2 0.4006 0.4336 0.3474 1 0.0
O3 O-2 0.0847 0.4394 0.3833 1 0.0
O5 O-2 0.0177 0.1334 0.3299 1 0.0
O4 O-2 0.2856 0.1962 0.0447 1 0.0
Na2 Na+1 -0.0031 0.3246 0.2667 1 0.0
Ti1 Ti+4 0.3344 0.3153 0.2118 1 0.0
O7 O-2 0.1558 0.15 0.3037 1 0.0
Na1 Na+1 0.1753 0.3361 0.2481 1 0.0
O1 O-2 0.3876 0.2055 0.41 1 0.0
Zn1 Zn+2 0.2411 0.0811 0.2555 1 0.0
Ge1 Ge+4 0.08888 0.0715 0.2164 1 0.0
