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#$Date: 2015-09-28 14:44:48 +0100 (Mon, 28 Sep 2015) $
#$Revision: 158760 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/27/1532774.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_1532774
loop_
_publ_author_name
'Bukvetskii, B.V.'
'Garashina, L.S.'
_publ_section_title
;
 Crystal-chemical investigation of the orthorhombic trifluorides of
 samarium, holmium, and ytterbium
;
_journal_name_full
;
Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))
;
_journal_page_first              1024
_journal_page_last               1029
_journal_volume                  3
_journal_year                    1977
_chemical_formula_sum            'F3 Sm'
_chemical_name_systematic        'Sm F3'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.676
_cell_length_b                   7.062
_cell_length_c                   4.411
_cell_volume                     207.961
_citation_journal_id_ASTM        KOKHDC
_cod_data_source_file            Bukvetskii_KOKHDC_1977_889.cif
_cod_data_source_block           F3Sm1
_cod_original_cell_volume        207.9606
_cod_chemical_formula_sum_orig   'F3 Sm1'
_cod_database_code               1532774
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-y-1/2,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
F2 F-1 0.0205 0.25 0.923 1 0.0
Sm1 Sm+3 0.36608 0.25 0.06192 1 0.0
F1 F-1 0.165 0.066 0.3906 1 0.0