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#$Date: 2013-03-29 12:50:04 +0200 (Fri, 29 Mar 2013) $
#$Revision: 77877 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/17/9011773.cif $
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#
# 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_9011773
loop_
_publ_author_name
'Sandomirskii, P. A.'
'Meshalkin, S. S.'
'Rozhdestvenskaya, I. V.'
'Dem'yanets, L. N.'
'Uvarova, T. G.'
_publ_section_title
;Crystal structures of the D-phase of K(AlGeO4) and the C-phase of Na(AlGeO4)
 Locality: synthetic Note: y coordinate of Na2 changed from .03954 to .08954
 to match reported bond lengths Note: z coordinate of O8 changed from .05135
 to .15135 to match reported bond lengths Note: y coordinate of O11 changed
 from .04154 to .05154 to match reported bond lengths
;
_journal_name_full               Kristallografiya
_journal_page_first              522
_journal_page_last               527
_journal_volume                  31
_journal_year                    1986
_chemical_formula_structural     NaAlGeO4
_chemical_formula_sum            'Al Ge Na O4'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2n'
_symmetry_space_group_name_H-M   'P 1 1 21/n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90.09
_cell_length_a                   8.783
_cell_length_b                   15.432
_cell_length_c                   8.252
_cell_volume                     1118.469
_exptl_crystal_density_diffrn    3.324
_[local]_cod_chemical_formula_sum_orig 'Na Al Ge O4'
_cod_database_code               9011773
_amcsd_database_code             AMCSD#0012022
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,1/2-z
1/2-x,1/2-y,1/2+z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Na1 0.25531 0.25353 0.46254 0.02419
Na2 0.73105 0.08954 0.46922 0.01570
Na3 0.77962 0.06527 0.02338 0.01507
Al1 0.92196 0.23690 0.17060 0.00633
Al2 0.39989 0.42299 0.17021 0.00595
Al3 0.44119 0.09221 0.16652 0.00633
Ge1 0.58037 0.26662 0.28328 0.00481
Ge2 0.06246 0.40924 0.27829 0.00456
Ge3 0.10972 0.07934 0.28352 0.00456
O1 0.43076 0.19316 0.26141 0.00925
O2 0.07328 0.19024 0.27779 0.00937
O3 0.24970 0.37175 0.27321 0.00937
O4 0.74795 0.20887 0.25836 0.01102
O5 0.94522 0.02139 0.23423 0.01089
O6 0.56447 0.02001 0.26608 0.00963
O7 0.55865 0.35462 0.15280 0.00836
O8 0.25572 0.05153 0.15135 0.00912
O9 0.94850 0.34863 0.14754 0.00950
O10 0.57065 0.30990 0.47749 0.01330
O11 0.16886 0.05154 0.47758 0.01089
O12 0.98646 0.39410 0.47068 0.01051