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#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/60/1536078.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_1536078
loop_
_publ_author_name
'Viklund, P.'
'Svensson, C.'
'Haeussermann, U.'
'Simak, S.I.'
'Hull, S.'
'Berastegui, P.'
_publ_section_title
;
 The compounds V8 Ga36.9 Zn4.1, Cr8 Ga29.8 Zn11.2 and Mn8 Ga27.4 Zn13.6: A
 remarkable segregation of Zn and Ga in an intermetallic framework
;
_journal_name_full               'Chemistry - A European Journal'
_journal_page_first              5143
_journal_page_last               5152
_journal_volume                  7
_journal_year                    2001
_chemical_formula_sum            'Ga41 V8'
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   13.9351
_cell_length_b                   13.9351
_cell_length_c                   14.8828
_cell_volume                     2502.854
_citation_journal_id_ASTM        CEUJED
_cod_data_source_file            Viklund_CEUJED_2001_240.cif
_cod_data_source_block           Ga41V8
_cod_database_code               1536078
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-x,-y,-z
y,-x+y,-z
x-y,x,-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
-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
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
-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
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
Ga7 Ga 0.44879 -0.20976 0.33158 1 0.0
Ga8 Ga 0.6667 0.3333 0.3333 1 0.0
Ga9 Ga 0.3333 -0.3333 0.1667 1 0.0
Ga4 Ga 0.1667 -0.1667 0.3333 1 0.0
Ga5 Ga 0.49681 0.17667 0.44706 1 0.0
Ga1 Ga 0.48404 0.01451 0.33961 1 0.0
V1 V 0.30981 0.01452 0.40118 1 0.0
Ga6 Ga 0.44475 -0.0906 0.17051 1 0.0
Ga2 Ga 0.31951 0.00916 0.23276 1 0.0
Ga3 Ga 0.33386 -0.1506 0.45131 1 0.0
V2 V 0.6667 0.3333 0.5195 1 0.0
