#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/56/1535631.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_1535631
loop_
_publ_author_name
'Buchholz, W.'
'Schuster, H.U.'
_publ_section_title
;
 Intermetallische Phasen mit B35-Ueberstruktur und
 Verwandtschaftsbeziehung zu Li Fe6 Ge6
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              40
_journal_page_last               48
_journal_volume                  482
_journal_year                    1981
_chemical_formula_sum            'Li Ni6 Si6'
_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            3
_cell_length_a                   8.461
_cell_length_b                   8.461
_cell_length_c                   7.566
_cell_volume                     469.073
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Buchholz_ZAACAB_1981_1859.cif
_cod_data_source_block           Li1Ni6Si6
_cod_original_formula_sum        'Li1 Ni6 Si6'
_cod_database_code               1535631
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
Si1 Si 0.331 0 0 1 0.0
Li2 Li 0 0 0.5 1 0.0
Ni2 Ni 0.5 0 0.2546 1 0.0
Si2 Si 0.326 0 0.5 1 0.0
Si3 Si 0.3333 0.6667 0.341 1 0.0
Ni1 Ni 0.1623 0.3246 0.2485 1 0.0
Si4 Si 0 0 0.155 1 0.0
Li1 Li 0.3333 0.6667 0 1 0.0
