#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/97/1539704.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_1539704
loop_
_publ_author_name
'Benner, G.'
'Mueller, B.G.'
_publ_section_title
;
 Zur Kenntnis binaerer Fluoride des Zr F4-Typs: Hf F4 und Th F4
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              33
_journal_page_last               42
_journal_volume                  588
_journal_year                    1990
_chemical_formula_sum            'F4 Th'
_chemical_name_systematic        'Th F4'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 126.31
_cell_angle_gamma                90
_cell_formula_units_Z            12
_cell_length_a                   13.049
_cell_length_b                   11.12
_cell_length_c                   8.538
_cell_volume                     998.341
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Benner_ZAACAB_1990_1280.cif
_cod_data_source_block           F4Th1
_cod_original_cell_volume        998.3409
_cod_original_formula_sum        'F4 Th1'
_cod_database_code               1539704
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,-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
F4 F-1 0.25 0.75 0 1 0.0
F3 F-1 0.1274 0.846 0.1579 1 0.0
F5 F-1 0.8799 0.9482 0.0442 1 0.0
Th2 Th+4 0 0.7869 0.25 1 0.0
F1 F-1 0.5 0.8996 0.25 1 0.0
F2 F-1 0.1172 0.6196 0.28 1 0.0
Th1 Th+4 0.2041 0.4282 0.3309 1 0.0
F6 F-1 0.891 0.7052 0.9334 1 0.0
F7 F-1 0.2104 0.5279 0.1018 1 0.0
