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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/1/53/07/1530799.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_1530799
loop_
_publ_author_name
'Sokolov, Yu.A.'
'Ilyukhin, V.V.'
'Maksimov, B.A.'
'Belov, N.V.'
_publ_section_title
;
 Crystal structure of a new Na-Al germanate Na8 Al6 Ge6 O24 C O3 (H2 O)2
;
_journal_name_full               'Doklady Akademii Nauk SSSR'
_journal_page_first              585
_journal_page_last               588
_journal_volume                  237
_journal_year                    1977
_chemical_formula_sum            'C H4.96 Al6 Ge6 Na8 O29.48'
_chemical_name_systematic        'Na8 (Al6 Ge6 O24) (C O3) (H2 O)2.48'
_space_group_IT_number           159
_symmetry_space_group_name_Hall  'P 3 -2c'
_symmetry_space_group_name_H-M   'P 3 1 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   12.913
_cell_length_b                   12.913
_cell_length_c                   10.493
_cell_volume                     1515.251
_citation_journal_id_ASTM        DANKAS
_cod_data_source_file            Sokolov_DANKAS_1977_750.cif
_cod_data_source_block           C1H4.96Al6Ge6Na8O29.48
_cod_original_formula_sum        'C1 H4.96 Al6 Ge6 Na8 O29.48'
_cod_database_code               1530799
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,z+1/2
-x,-x+y,z+1/2
x-y,-y,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
Al2 Al+3 0.4173 0.0845 0.7511 1 0.0
O4 O-2 0.278 0.14 0.447 1 0.0
C1 C+4 0.6667 0.3333 0.154 1 0.0
O10 O-2 0.615 0.202 0.404 0.333 0.0
Na3 Na+1 0.552 0.102 0.046 1 0.0
O8 O-2 0.524 0.052 0.694 1 0.0
O9 O-2 0.553 0.277 0.138 1 0.0
O2 O-2 0.035 0.376 0.408 1 0.0
Al1 Al+3 0.7456 0.0017 0 1 0.0
Na4 Na+1 0.386 0.192 0.253 1 0.0
Ge1 Ge+4 0.0002 0.2523 0 1 0.0
O5 O-2 0.474 0.239 0.732 1 0.0
O11 O-2 0.017 0.058 0.198 0.42 0.0
O3 O-2 0.284 -0.005 0.654 1 0.0
Na1 Na+1 0 0 0.412 1 0.0
O1 O-2 0.099 0.201 0.473 1 0.0
Na2 Na+1 0.6666 0.3333 0.609 1 0.0
O12 O-2 0 0 0.207 0.22 0.0
O6 O-2 0.287 0.294 0.653 1 0.0
O7 O-2 0.342 0.38 0.407 1 0.0
Ge2 Ge+4 0.4177 0.3336 0.7511 1 0.0
