#------------------------------------------------------------------------------
#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/77/9007763.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_9007763
loop_
_publ_author_name
'Nishi, F.'
'Takeuchi, Y.'
_publ_section_title
;
 Structure of sodium calcium germanate Na2CaGe2O6
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              544
_journal_page_last               546
_journal_paper_doi               10.1107/S0108270189009078
_journal_volume                  46
_journal_year                    1990
_chemical_formula_structural     Na2CaGe2O6
_chemical_formula_sum            'Ca1.003 Ge2 Na1.997 O6'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   10.788
_cell_length_b                   10.788
_cell_length_c                   13.460
_cell_formula_units_Z            9
_cell_volume                     1356.618
_database_code_amcsd             0010123
_exptl_crystal_density_diffrn    3.606
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'Ge2 (Ca1.003 Na1.997) O6'
_cod_database_code               9007763
_amcsd_formula_title             Na2CaGe2O6
loop_
_space_group_symop_operation_xyz
x,y,z
2/3+x,1/3+y,1/3+z
1/3+x,2/3+y,2/3+z
x,x-y,z
2/3+x,1/3+x-y,1/3+z
1/3+x,2/3+x-y,2/3+z
y,x,-z
2/3+y,1/3+x,1/3-z
1/3+y,2/3+x,2/3-z
-x+y,y,z
2/3-x+y,1/3+y,1/3+z
1/3-x+y,2/3+y,2/3+z
-x,-x+y,-z
2/3-x,1/3-x+y,1/3-z
1/3-x,2/3-x+y,2/3-z
-y,-x,z
2/3-y,1/3-x,1/3+z
1/3-y,2/3-x,2/3+z
x-y,-y,-z
2/3+x-y,1/3-y,1/3-z
1/3+x-y,2/3-y,2/3-z
y,-x+y,-z
2/3+y,1/3-x+y,1/3-z
1/3+y,2/3-x+y,2/3-z
-x+y,-x,z
2/3-x+y,1/3-x,1/3+z
1/3-x+y,2/3-x,2/3+z
-x,-y,-z
2/3-x,1/3-y,1/3-z
1/3-x,2/3-y,2/3-z
-y,x-y,z
2/3-y,1/3+x-y,1/3+z
1/3-y,2/3+x-y,2/3+z
x-y,x,-z
2/3+x-y,1/3+x,1/3-z
1/3+x-y,2/3+x,2/3-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
Ge 0.15040 -0.15040 0.56698 1.00000 0.01545
CaM1 0.00000 0.00000 0.24730 0.35000 0.02444
NaM1 0.00000 0.00000 0.24730 0.65000 0.02444
CaM2 0.50000 0.00000 0.00000 0.10000 0.05104
NaM2 0.50000 0.00000 0.00000 0.90000 0.05104
CaM3 0.50000 0.00000 0.50000 0.39000 0.03014
NaM3 0.50000 0.00000 0.50000 0.61000 0.03014
CaM4 0.00000 0.00000 0.00000 0.84000 0.03052
NaM4 0.00000 0.00000 0.00000 0.16000 0.03052
O1 0.27830 0.02350 0.52670 0.50000 0.03800
O2 0.08260 -0.14510 0.67990 0.50000 0.02533
O3 0.26970 -0.21290 0.55250 0.50000 0.03420
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010123
