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#$Date: 2015-09-12 19:24:09 +0300 (Sat, 12 Sep 2015) $
#$Revision: 156149 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/09/1530916.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1530916
loop_
_publ_author_name
'Tsurumi, T.'
'Udagawa, S.'
'Ikawa, H.'
'Nishimura, T.'
'Urabe, K.'
_publ_section_title
;
 Crystal structure and charge compensation mechanism of beta prime prime
 -alumina type R+ -gallate (R=K+, (N H4)+)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              154
_journal_page_last               163
_journal_volume                  71
_journal_year                    1987
_chemical_formula_sum            'Ga10.82 K1.52 Na0.18 O17'
_chemical_name_systematic        'K1.52 Na.18 Ga10.82 O17'
_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_formula_units_Z            3
_cell_length_a                   5.856
_cell_length_b                   5.856
_cell_length_c                   35.34
_cell_volume                     1049.541
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Tsurumi_JSSCBI_1987_1494.cif
_cod_data_source_block           Ga10.82K1.52Na0.18O17
_cod_database_code               1530916
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z
x,x-y,z
-x+y,y,z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
y+2/3,x+1/3,-z+1/3
-x+2/3,-x+y+1/3,-z+1/3
x-y+2/3,-y+1/3,-z+1/3
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
-y+2/3,-x+1/3,z+1/3
x+2/3,x-y+1/3,z+1/3
-x+y+2/3,y+1/3,z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
y+1/3,x+2/3,-z+2/3
-x+1/3,-x+y+2/3,-z+2/3
x-y+1/3,-y+2/3,-z+2/3
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
-y+1/3,-x+2/3,z+2/3
x+1/3,x-y+2/3,z+2/3
-x+y+1/3,y+2/3,z+2/3
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
O1 O-2 0.1557 -0.1557 0.0339 1 0.0
Ga2 Ga+2 0 0 0.34976 0.91 0.0
Ga1 Ga+2 0.1678 -0.1678 -0.07036 1 0.0
O3 O-2 0 0 0.2962 1 0.0
Ga4 Ga+2 0 0 0 1 0.0
Na1 Na+1 0 0 0.34976 0.09 0.0
O4 O-2 0 0 0.0948 1 0.0
O2 O-2 0.163 -0.163 0.236 1 0.0
O5 O-2 0 0 0.5 1 0.0
Ga3 Ga+2 0 0 0.44966 1 0.0
K1 K+1 0 0 0.1712 0.55 0.0
K2 K+1 0.5961 -0.5961 0.4976 0.07 0.0
