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#$Date: 2025-08-18 17:14:33 +0200 (Mon, 18 Aug 2025) $
#$Revision: 301778 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/65/1536581.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_1536581
loop_
_publ_author_name
'Dukat, W.'
'Gall, F.'
'Mootz, D.'
'Meyer, C.'
'Naumann, D.'
'Schulz, K.'
'Nowicki, G.'
_publ_section_title
;
 Kristallstruktur von (C F3) Te Te (C F3) - Synthese, Charakterisierung
 und Eigenschaften von C F3 Te I
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              617
_journal_page_last               621
_journal_volume                  622
_journal_year                    1996
_chemical_formula_sum            'C2 F6 Te2'
_chemical_name_systematic        '(C F3) Te Te (C F3)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.2
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.13
_cell_length_b                   11.489
_cell_length_c                   6.822
_cell_volume                     778.848
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Dukat_ZAACAB_1996_1812.cif
_cod_data_source_block           C2F6Te2
_cod_original_cell_volume        778.8477
_cod_original_sg_symbol_Hall     '-P 2ybc (z,y,-x)'
_cod_database_code               1536581
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z
-x,-y,-z
x-1/2,-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
Te1 Te-1 0.52505 0.35544 0.25372 1 0.0
F3 F-1 0.388 0.1319 0.3195 1 0.0
F2 F-1 0.5462 0.1785 0.5613 1 0.0
F5 F-1 0.1099 0.5742 0.0985 1 0.0
F1 F-1 0.3527 0.2618 0.5231 1 0.0
C2 C+4 0.2267 0.5319 0.1888 1 0.0
C1 C+4 0.4449 0.222 0.4269 1 0.0
F6 F-1 0.3117 0.6208 0.2285 1 0.0
F4 F-1 0.2113 0.4913 0.3655 1 0.0
Te2 Te-1 0.29409 0.39973 0.002 1 0.0
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 12494017
