#------------------------------------------------------------------------------
#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/32/1523232.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_1523232
loop_
_publ_author_name
'Belin, C.'
'Charbonnel, M.'
_publ_section_title
;
 A new intermetallic phase K4 Na13 Ga49.57: Synthesis and X-ray crystal
 structure
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              57
_journal_page_last               66
_journal_volume                  64
_journal_year                    1986
_chemical_formula_sum            'Ga49.57 K4 Na13'
_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            6
_cell_length_a                   16.399
_cell_length_b                   16.399
_cell_length_c                   35.479
_cell_volume                     8262.981
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Belin_JSSCBI_1986_182.cif
_cod_data_source_block           Ga49.57K4Na13
_cod_original_cell_volume        8262.98
_cod_database_code               1523232
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
Ga4 Ga 0.8737 0.1263 0.7317 1 0.0
Na2 Na 0.2004 0.7996 0.6758 1 0.0
Ga9 Ga 0.0553 0.9447 0.8297 1 0.0
K2 K 0.1299 0.8701 0.7574 1 0.0
Ga3 Ga 0.5547 0.4453 0.9497 1 0.0
Ga10 Ga 0.0531 0.9469 0.0507 0.191 0.0
Ga13 Ga 0.458 0.3755 0.2553 1 0.0
Ga6 Ga 0.2355 0.7645 0.469 1 0.0
Ga5 Ga 0.5787 0.4213 0.82 1 0.0
Na3 Na 0.1112 0.8888 0.6029 1 0.0
Ga14 Ga 0.4504 0.9875 0.4856 1 0.0
Ga2 Ga 0.2786 0.7214 0.2244 1 0.0
Ga1 Ga 0 0 0.1113 1 0.0
K1 K 0 0 0.2612 1 0.0
Ga8 Ga 0.2479 0.7521 0.7632 1 0.0
Ga7 Ga 0.1765 0.8235 0.5276 1 0.0
Na4 Na 0.2903 0.3705 0.2113 1 0.0
Na1 Na 0 0 0.3598 1 0.0
Ga12 Ga 0.3095 0.3449 0.2968 1 0.0
Ga11 Ga 0.8406 0.3348 0.0102 1 0.0
