#------------------------------------------------------------------------------
#$Date: 2016-01-01 12:40:50 +0100 (Fri 01 de Jan de 2016) $
#$Revision: 172063 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/08/1540889.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_1540889
loop_
_publ_author_name
'Saw, C.K.'
'Beaudry, B.J.'
'Stassis, C.'
_publ_section_title
;
 Location of deuterium in alpha-scandium
;
_journal_name_full
'Physical Review, Serie 3. B - Condensed Matter (18,1978-)'
_journal_page_first              7013
_journal_page_last               7017
_journal_volume                  27
_journal_year                    1983
_chemical_formula_sum            'D0.667 Sc2.001'
_chemical_name_systematic        '(Sc3 D)0.667'
_space_group_IT_number           187
_symmetry_space_group_name_Hall  'P -6 2'
_symmetry_space_group_name_H-M   'P -6 m 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   3.338
_cell_length_b                   3.338
_cell_length_c                   5.299
_cell_volume                     51.133
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            Saw_PRBMDO_1983_531.cif
_cod_data_source_block           D0.667Sc2.001
_cod_original_cell_volume        51.13252
_cod_database_code               1540889
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
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
D1 D 0.3333 0.6667 0.653 0.34 0.0
Sc1 Sc 0.3333 0.6667 0.25 1 0.0
