#------------------------------------------------------------------------------
#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/40/8104090.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_8104090
loop_
_publ_author_name
'Derkach, V.O.'
'Kotur, B.Y.'
'Yvon, K.'
'Cerny, R.'
'Pacheco, J.V.'
_publ_section_title
;
 Refinement of the crystal structure of pentascandium tristannide, Sc5Sn3
;
_journal_name_full
;
Zeitschrift fuer Kristallographie - New Crystal Structures
;
_journal_page_first              290
_journal_page_last               290
_journal_volume                  212
_journal_year                    1997
_chemical_formula_sum            'Sc5 Sn3'
_space_group_IT_number           193
_symmetry_space_group_name_Hall  '-P 6c 2'
_symmetry_space_group_name_H-M   'P 63/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   8.3498
_cell_length_b                   8.3498
_cell_length_c                   6.0551
_cell_volume                     365.598
_citation_journal_id_ASTM        ZKNSFT
_cod_data_source_file            Derkach_ZKNSFT_1997_1956.cif
_cod_data_source_block           Sc5Sn3
_cod_original_cell_volume        365.5982
_cod_database_code               8104090
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
-y,-x,-z
x-y,-y,-z+1/2
x,x-y,-z
y,x,-z+1/2
-x+y,y,-z
-x,-x+y,-z+1/2
-x,-y,-z
-x+y,-x,-z-1/2
y,-x+y,-z
x,y,-z-1/2
x-y,x,-z
-y,x-y,-z-1/2
y,x,z
-x+y,y,z-1/2
-x,-x+y,z
-y,-x,z-1/2
x-y,-y,z
x,x-y,z-1/2
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 0.2376 0 0.25 1 0.0
Sc2 Sc 0.33333 0.66667 0 1 0.0
Sn1 Sn 0.60493 0 0.25 1 0.0
