#------------------------------------------------------------------------------
#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/77/9007793.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9007793
loop_
_publ_author_name
'Fleet, M. E.'
_publ_section_title
;
 Refinement of the structure of sodium enneagermanate (Na4Ge9O20)
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              1202
_journal_page_last               1204
_journal_paper_doi               10.1107/S0108270189011042
_journal_volume                  46
_journal_year                    1990
_chemical_formula_structural     Na4Ge9O20
_chemical_formula_sum            'Ge8.5 Na4 O20'
_space_group_IT_number           88
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   15.0263
_cell_length_b                   15.0263
_cell_length_c                   7.3971
_cell_formula_units_Z            4
_cell_volume                     1670.189
_database_code_amcsd             0010155
_exptl_crystal_density_diffrn    4.093
_cod_original_sg_symbol_H-M      'I 41/a'
_cod_original_formula_sum        'Na4 Ge8.5 O20'
_cod_database_code               9007793
_amcsd_formula_title             Na4Ge9O20
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,1/2+z
3/4+y,1/4-x,1/4-z
1/4+y,3/4-x,3/4-z
3/4-y,1/4+x,1/4+z
1/4-y,3/4+x,3/4+z
1/2+x,y,1/2-z
+x,1/2+y,-z
1/2-x,-y,1/2+z
-x,1/2-y,+z
3/4-y,3/4+x,3/4-z
1/4-y,1/4+x,1/4-z
3/4+y,3/4-x,3/4+z
1/4+y,1/4-x,1/4+z
-x,-y,-z
1/2-x,1/2-y,1/2-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Na 0.08666 0.05566 0.16931 1.00000 0.02546
Ge1 0.00000 0.25000 0.12500 0.50000 0.00667
Ge2 0.13657 0.04603 0.70097 1.00000 0.00684
Ge3 0.09568 0.21773 0.49080 1.00000 0.00645
O1 0.09204 0.21194 0.24544 1.00000 0.01014
O2 0.08005 0.22213 0.74549 1.00000 0.00830
O3 0.18871 0.07324 0.90670 1.00000 0.01035
O4 0.02503 0.04537 0.75873 1.00000 0.01074
O5 0.15385 0.10846 0.50551 1.00000 0.00999
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010155
