#------------------------------------------------------------------------------
#$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/04/1010451.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_1010451
loop_
_publ_author_name
'Nowacki, W'
_publ_section_title              'Die Kristallstruktur des Sc F₃'
_journal_coden_ASTM              ZEKGAX
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_page_first              273
_journal_page_last               282
_journal_volume                  101
_journal_year                    1939
_chemical_formula_structural     'Sc F3'
_chemical_formula_sum            'F3 Sc'
_chemical_name_systematic        'Scandium fluoride'
_space_group_IT_number           155
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'P 3* 2'
_symmetry_space_group_name_H-M   'R 3 2 :R'
_cell_angle_alpha                89.575
_cell_angle_beta                 89.575
_cell_angle_gamma                89.575
_cell_formula_units_Z            1
_cell_length_a                   4.022
_cell_length_b                   4.022
_cell_length_c                   4.022
_cell_volume                     65.1
_cod_original_sg_symbol_H-M      'R 3 2 R'
_cod_database_code               1010451
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,-x,-z
y,z,x
-x,-z,-y
z,x,y
-z,-y,-x
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Sc1 Sc3+ 1 a 0. 0. 0. 1. 0 d
F1 F1- 3 e 0.5 0.275(25) -0.275(25) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Sc3+ 3.000
F1- -1.000
