#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/54/1525435.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_1525435
loop_
_publ_author_name
'Vlasse, M.'
'Saux, M.'
'Echegut, P.'
'Villeneuve, G.'
_publ_section_title
;
 Etude cristallographique et par resonance magnetique nucleaire de
 l'oxyfluorure Sc O F
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              807
_journal_page_last               812
_journal_volume                  14
_journal_year                    1979
_chemical_formula_sum            'F O Sc'
_chemical_name_systematic        'Sc O F'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.7
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.167
_cell_length_b                   5.147
_cell_length_c                   5.248
_cell_volume                     137.573
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Vlasse_MRBUAC_1979_383.cif
_cod_data_source_block           F1O1Sc1
_cod_original_cell_volume        137.5728
_cod_original_formula_sum        'F1 O1 Sc1'
_cod_database_code               1525435
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-y-1/2,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+3 0.30785 0.02654 0.21255 1 0.0
F1 F-1 0.45597 0.7531 0.48786 1 0.0
O1 O-2 0.05622 0.32448 0.34253 1 0.0
