#------------------------------------------------------------------------------
#$Date: 2024-05-09 11:47:05 +0300 (Thu, 09 May 2024) $
#$Revision: 291792 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/14/9011420.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_9011420
loop_
_publ_author_name
'Allmann, R.'
'Lohse, H. N.'
'Hellner, E.'
_publ_section_title
;
 Die kristallstruktur des koenenits, eine doppelschichtstruktur mit zwei
 inkommensurablen teilgittern
 Note: one of two substructures in koenenite
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              7
_journal_page_last               22
_journal_volume                  126
_journal_year                    1968
_chemical_formula_sum            'Al0.364 H2 Mg0.636 O2'
_chemical_name_mineral           Koenenite
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.052
_cell_length_b                   3.052
_cell_length_c                   10.880
_cell_formula_units_Z            1
_cell_volume                     87.766
_database_code_amcsd             0010654
_exptl_crystal_density_diffrn    1.122
_cod_original_formula_sum        '(Mg.636 Al.364) (O2 H2)'
_cod_database_code               9011420
loop_
_space_group_symop_operation_xyz
x,y,z
-y,-x,z
y,-x+y,-z
-x,-x+y,-z
-x+y,-x,z
-x+y,y,z
-x,-y,-z
y,x,-z
-y,x-y,z
x,x-y,z
x-y,x,-z
x-y,-y,-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
Mg 0.00000 0.00000 0.50000 0.63640 0.01267
Al 0.00000 0.00000 0.50000 0.36360 0.01267
O-H 0.66667 0.33333 0.40860 1.00000 0.02280
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010654
