#------------------------------------------------------------------------------
#$Date: 2023-05-10 20:44:19 +0300 (Wed, 10 May 2023) $
#$Revision: 283658 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/61/9016186.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_9016186
loop_
_publ_author_name
'Marler, B.'
'Wunder, B.'
_publ_section_title
;
 Crystal structure of dialuminium dihydroxogermanate, Al~2~GeO~4~(OH)~2~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              3
_journal_page_last               3
_journal_volume                  213
_journal_year                    1998
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al2 Ge H2 O6'
_chemical_name_mineral           Krieselite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.107
_cell_length_b                   8.551
_cell_length_c                   4.804
_cell_volume                     374.106
_database_code_amcsd             0018650
_exptl_crystal_density_diffrn    3.987
_cod_original_formula_sum        'Ge Al2 O6 H2'
_cod_database_code               9016186
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,z
-x,1/2+y,-z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2-z
1/2+x,y,1/2-z
1/2-x,-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
_atom_site_type_symbol
_atom_site_attached_hydrogens
Ge -0.06157 0.25000 0.40430 0.05300 Ge 0
Al 0.13280 0.07920 -0.09270 0.03800 Al 0
O1 0.02850 0.25000 -0.27440 0.03800 O 0
O2 0.24730 0.25000 0.06160 0.03800 O 0
O3 -0.00510 0.08600 0.21330 0.03800 O 0
O-H4 0.24840 0.06660 -0.41270 0.03800 O 1
loop_
_cod_changelog_entry_id
_cod_changelog_entry_author
_cod_changelog_entry_date
_cod_changelog_entry_text
1
;cod-tools version 3.8.0
Id: cif_guess_AMCSD_atom_types 9574 2023-05-10 09:00:05Z saulius
;
2023-05-10T18:56:47+03:00
;Derived atom types and hydrogen counts
from atom names that follow the AMCSD naming convention
(Wat == water, O-H == hydroxyl).
;
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0018650