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#$Date: 2020-09-24 17:35:05 +0300 (Thu, 24 Sep 2020) $
#$Revision: 256727 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/12/72/4127282.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_4127282
loop_
_publ_author_name
'Hu, Lei'
'Chen, Jun'
'Fan, Longlong'
'Ren, Yang'
'Rong, Yangchun'
'Pan, Zhao'
'Deng, Jinxia'
'Yu, Ranbo'
'Xing, Xianran'
_publ_section_title
;
 Zero thermal expansion and ferromagnetism in cubic Sc1-x Mx F3 (M = Ga,
 Fe) over a wide temperature range
;
_journal_coden_ASTM              JACSAT
_journal_issue                   39
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              13566
_journal_page_last               13569
_journal_paper_doi               10.1021/ja5077487
_journal_volume                  136
_journal_year                    2014
_chemical_formula_structural     'Sc F3'
_chemical_formula_sum            'F3 Sc'
_space_group_IT_number           221
_space_group_name_Hall           '-P 4 2 3'
_space_group_name_H-M_alt        'P m -3 m'
_symmetry_Int_Tables_number      221
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            1
_cell_length_a                   4.01245(7)
_cell_length_b                   4.01245(7)
_cell_length_c                   4.01245(7)
_cell_measurement_temperature    300.
_cell_volume                     64.599(2)
_cod_data_source_file            ScF3_Pm_3m_Hu_DC297.cif
_cod_data_source_block           chateigner
_cod_depositor_comments
;
 Updated bibliographical information.

 Antanas Vaitkus,
 2020-09-24
;
_cod_original_cell_volume        64.6
_cod_original_formula_sum        'F3 Sc1'
_cod_database_code               4127282
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'z, y, -x'
2 'y, x, -z'
3 'x, z, -y'
4 'z, x, -y'
5 'y, z, -x'
6 'x, y, -z'
7 'z, -y, x'
8 'y, -x, z'
9 'x, -z, y'
10 'z, -x, y'
11 'y, -z, x'
12 'x, -y, z'
13 '-z, y, x'
14 '-y, x, z'
15 '-x, z, y'
16 '-z, x, y'
17 '-y, z, x'
18 '-x, y, z'
19 '-z, -y, -x'
20 '-y, -x, -z'
21 '-x, -z, -y'
22 '-z, -x, -y'
23 '-y, -z, -x'
24 '-x, -y, -z'
25 '-z, -y, x'
26 '-y, -x, z'
27 '-x, -z, y'
28 '-z, -x, y'
29 '-y, -z, x'
30 '-x, -y, z'
31 '-z, y, -x'
32 '-y, x, -z'
33 '-x, z, -y'
34 '-z, x, -y'
35 '-y, z, -x'
36 '-x, y, -z'
37 'z, -y, -x'
38 'y, -x, -z'
39 'x, -z, -y'
40 'z, -x, -y'
41 'y, -z, -x'
42 'x, -y, -z'
43 'z, y, x'
44 'y, x, z'
45 'x, z, y'
46 'z, x, y'
47 'y, z, x'
48 'x, y, z'
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_B_iso_or_equiv
_atom_site_occupancy
_atom_site_attached_hydrogens
Sc1 Sc3+ 1 a 0 0 0 0 1. 0
F1 F1- 3 d 0.5 0 0 0 1. 0
loop_
_atom_type_symbol
_atom_type_oxidation_number
Sc3+ 3
F1- -1