#------------------------------------------------------------------------------
#$Date: 2023-03-26 11:09:57 +0300 (Sun, 26 Mar 2023) $
#$Revision: 282068 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/52/9005281.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_9005281
loop_
_publ_author_name
'Otto, H. H.'
'Brandt, H. J.'
_publ_section_title
;
 Crystal structure of Pb6[Ge6O18]2H2O, a lead cyclo-germanate
 similar to the mineral dioptase
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              301
_journal_page_last               310
_journal_volume                  8
_journal_year                    1996
_chemical_formula_structural     Pb6[Ge6O18].2H20
_chemical_formula_sum            'Ge3 H2 O10 Pb3'
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   15.6476
_cell_length_b                   15.6476
_cell_length_c                   7.3119
_cell_volume                     1550.445
_database_code_amcsd             0006627
_exptl_crystal_density_diffrn    6.435
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        'Pb3 Ge3 O10 H2'
_cod_database_code               9005281
_amcsd_formula_title             Pb6[Ge6O18].2H20
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
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_U_iso_or_equiv
Pb 0.41190 0.28700 0.79830 0.01100
Ge 0.37750 0.48840 0.64400 0.01300
O1 0.27900 0.48300 0.76900 0.01300
O2 0.33500 0.41100 0.45700 0.01100
O3 0.43700 0.45400 0.80000 0.00800
Wat 0.00000 0.00000 0.30000 0.17000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0006627