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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/38/7223826.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_7223826
loop_
_publ_author_name
'Pietikainen, J.'
'Valkonen, J.'
'Konu, J.'
'Laitinen, R.S.'
_publ_section_title
;
 Formation and crystal structure of polymeric (Me Te Cl3)n
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (42,1987-)
;
_journal_page_first              1369
_journal_page_last               1372
_journal_volume                  56
_journal_year                    2001
_chemical_formula_sum            'C H3 Cl3 Te'
_chemical_name_systematic        '(C H3) Te Cl3'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 119.236
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.3069
_cell_length_b                   6.4361
_cell_length_c                   10.4168
_cell_volume                     602.987
_citation_journal_id_ASTM        ZNBSEN
_cod_data_source_file            Pietikainen_ZNBSEN_2001_458.cif
_cod_data_source_block           C1H3Cl3Te1
_cod_original_cell_volume        602.9871
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'C1 H3 Cl3 Te1'
_cod_database_code               7223826
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z+1/2
-x,-y,-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
H1 H+1 0.6997 0.0257 0.539 1 0.0
C1 C-4 0.6908 -0.0614 0.4579 1 0.0
Cl3 Cl-1 0.35129 -0.0461 0.20194 1 0.0
H2 H+1 0.7901 -0.1012 0.4761 1 0.0
H3 H+1 0.6336 -0.1866 0.4511 1 0.0
Te1 Te+4 0.58044 0.10652 0.25845 1 0.0
Cl1 Cl-1 0.52453 0.3891 0.3684 1 0.0
Cl2 Cl-1 0.87146 0.2588 0.36751 1 0.0
