#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/75/1537550.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_1537550
loop_
_publ_author_name
'Krebs, B.'
_publ_section_title
;
 Die Kristallstruktur von Zirkoniumtetrachlorid
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              263
_journal_page_last               272
_journal_volume                  378
_journal_year                    1970
_chemical_formula_sum            'Cl4 Zr'
_chemical_name_systematic        'Zr Cl4'
_space_group_IT_number           13
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 109.3
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.361
_cell_length_b                   7.407
_cell_length_c                   6.256
_cell_volume                     278.192
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Krebs_ZAACAB_1970_1051.cif
_cod_data_source_block           Cl4Zr1
_cod_original_cell_volume        278.1922
_cod_original_formula_sum        'Cl4 Zr1'
_cod_database_code               1537550
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
x,-y,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
Cl1 Cl-1 0.2263 0.1076 -0.0022 1 0.0
Zr1 Zr+4 0 0.1641 0.25 1 0.0
Cl2 Cl-1 -0.2552 0.3629 0.0205 1 0.0
