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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/25/1522580.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_1522580
loop_
_publ_author_name
'Nesper, R.'
_publ_section_title
;
 Nax Mg5-x Ga9, a new intermetallic phase as a link between Zintl phases
 and metals
;
_journal_name_full               'Angewandte Chemie (Edition international)'
_journal_page_first              58
_journal_page_last               59
_journal_volume                  28
_journal_year                    1989
_chemical_formula_sum            'Ga9 Mg4 Na'
_chemical_name_systematic        'Ga9 (Mg4 Na)'
_space_group_IT_number           191
_symmetry_space_group_name_Hall  '-P 6 2'
_symmetry_space_group_name_H-M   'P 6/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   15.43
_cell_length_b                   15.43
_cell_length_c                   8.998
_cell_volume                     1855.276
_citation_journal_id_ASTM        ACIEAY
_cod_data_source_file            Nesper_ACIEAY_1989_210.cif
_cod_data_source_block           Ga9Mg4Na1
_cod_original_formula_sum        'Ga9 Mg4 Na1'
_cod_database_code               1522580
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z
-y,x-y,z
-x,-y,z
-x+y,-x,z
y,-x+y,z
-y,-x,-z
x-y,-y,-z
x,x-y,-z
y,x,-z
-x+y,y,-z
-x,-x+y,-z
-x,-y,-z
-x+y,-x,-z
y,-x+y,-z
x,y,-z
x-y,x,-z
-y,x-y,-z
y,x,z
-x+y,y,z
-x,-x+y,z
-y,-x,z
x-y,-y,z
x,x-y,z
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
Mg6 Mg 0.2088 0.4176 0.191 0.8 0.0
Na2 Na 0 0 0.34 0.176 0.0
Na1 Na 0 0 0.26 0.024 0.0
Ga4 Ga 0.168 0 0.23 0.1 0.0
Na4 Na 0.387 0 0 0.2 0.0
Mg2 Mg 0 0 0.34 0.704 0.0
Ga7 Ga 0.4501 0.9002 0.2578 1 0.0
Mg4 Mg 0.387 0 0 0.8 0.0
Ga2 Ga 0.2062 0 0.2 0.72 0.0
Mg1 Mg 0 0 0.26 0.096 0.0
Mg3 Mg 0.3333 0.6667 0.306 0.8 0.0
Ga1 Ga 0.3958 0.7916 0 1 0.0
Na3 Na 0.3333 0.6667 0.306 0.2 0.0
Na5 Na 0.13 0.26 0.5 0.2 0.0
Ga3 Ga 0.2 0 0.16 0.18 0.0
Na6 Na 0.2088 0.4176 0.191 0.2 0.0
Ga5 Ga 0.353 0 0.36 0.58 0.0
Ga8 Ga 0.4911 0.1596 0.5 1 0.0
Mg5 Mg 0.13 0.26 0.5 0.8 0.0
Ga6 Ga 0.351 0 0.33 0.42 0.0
