#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/56/1535635.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_1535635
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            'Ge6 Ni6 Sc'
_chemical_name_systematic        'Sc Ni6 Ge6'
_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            4
_cell_length_a                   10.152
_cell_length_b                   10.152
_cell_length_c                   7.813
_cell_volume                     697.351
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Buchholz_ZAACAB_1981_1866.cif
_cod_data_source_block           Ge6Ni6Sc1
_cod_original_cell_volume        697.3515
_cod_original_formula_sum        'Ge6 Ni6 Sc1'
_cod_database_code               1535635
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
Sc1 Sc 0 0 0 1 0.0
Ge1 Ge 0.16 0.32 0 1 0.0
Ge4 Ge 0.3333 0.6667 0.5 1 0.0
Ni2 Ni 0.2465 0.493 0.25 1 0.0
Ni1 Ni 0.238 0 0.258 1 0.0
Ge2 Ge 0.162 0.324 0.5 1 0.0
Ge3 Ge 0.3333 0.6667 0 1 0.0
Ge6 Ge 0.5 0 0.158 1 0.0
Ge5 Ge 0 0 0.34 1 0.0
Sc2 Sc 0.5 0 0.5 1 0.0
