#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/75/9017537.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_9017537
loop_
_publ_author_name
'Ben Yahia, H.'
'Nilges, T.'
'Rodewald, U. C.'
'Pottgen, R.'
_publ_section_title
;
 New arsenates (V) NaKAl2O(AsO4)2 and Na2KAl3(AsO4)4
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              2017
_journal_page_last               2023
_journal_volume                  45
_journal_year                    2010
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al3 As4 K0.92 Na2.08 O16'
_chemical_name_mineral           Ozerovaite
_space_group_IT_number           64
_space_group_name_Hall           '-C 2ac 2'
_space_group_name_H-M_alt        'C m c e'
_symmetry_space_group_name_H-M   'C m c e'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.5049
_cell_length_b                   20.482
_cell_length_c                   6.3574
_cell_formula_units_Z            4
_cell_volume                     1367.867
_database_code_amcsd             0020625
_exptl_crystal_density_diffrn    3.498
_cod_data_source_file            inputs/fixed/downloads/18/18032.cif
_cod_data_source_block           18032
_cod_original_sg_symbol_H-M      'C m c a'
_cod_original_formula_sum        'K.92 Na2.08 Al3 As4 O16'
_cod_database_code               9017537
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,1/2-y,1/2+z
1/2+x,-y,1/2+z
-x,1/2+y,1/2-z
1/2-x,+y,1/2-z
-x,y,z
1/2-x,1/2+y,z
x,-y,-z
1/2+x,1/2-y,-z
x,1/2+y,1/2-z
1/2+x,+y,1/2-z
-x,1/2-y,1/2+z
1/2-x,-y,1/2+z
-x,-y,-z
1/2-x,1/2-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
K1 0.22630 0.22920 0.12400 0.23000 0.06900
Na1 0.22630 0.22920 0.12400 0.14000 0.06900
Na2 0.00000 0.16290 0.05660 0.76000 0.04910
Al1 0.00000 0.00000 0.50000 1.00000 0.01000
Al2 0.25000 0.09158 0.75000 1.00000 0.01060
As1 0.00000 0.34546 0.05952 1.00000 0.01072
As2 0.25000 0.04441 0.25000 1.00000 0.01004
O1 0.00000 0.41490 -0.08670 1.00000 0.01300
O2 0.00000 0.28210 -0.10100 1.00000 0.02140
O3 0.13690 -0.01464 0.29710 1.00000 0.01130
O4 0.21080 0.09074 0.04600 1.00000 0.01350
O5 0.12650 0.34672 0.22300 1.00000 0.01460
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020625
