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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/49/1534918.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_1534918
loop_
_publ_author_name
'Beck, J.'
'Schlitt, K.J.'
_publ_section_title
;
 Chalkogen polycations with mononuclear divalent anions from chalkogen
 subhalides and tetrachlorides of Zr and Hf: synthesis and crystal
 structures of Se4 (M Cl6) (M= Zr, Hf) and Te4 (Hf Cl6)
;
_journal_name_full               'Chemische Berichte'
_journal_page_first              763
_journal_page_last               766
_journal_volume                  128
_journal_year                    1995
_chemical_formula_sum            'Cl6 Se4 Zr'
_chemical_name_systematic        'Se4 (Zr Cl6)'
_space_group_IT_number           138
_symmetry_space_group_name_Hall  '-P 4ac 2ac'
_symmetry_space_group_name_H-M   'P 42/n c m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.896
_cell_length_b                   10.896
_cell_length_c                   10.41
_cell_volume                     1235.905
_citation_journal_id_ASTM        CHBEAM
_cod_data_source_file            Beck_CHBEAM_1995_1750.cif
_cod_data_source_block           Cl6Se4Zr1
_cod_original_cell_volume        1235.904
_cod_original_formula_sum        'Cl6 Se4 Zr1'
_cod_database_code               1534918
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x,z+1/2
-x+1/2,-y+1/2,z
y,-x+1/2,z+1/2
x+1/2,-y,-z+1/2
y+1/2,x+1/2,-z
-x,y+1/2,-z+1/2
-y,-x,-z
-x,-y,-z
y-1/2,-x,-z-1/2
x-1/2,y-1/2,-z
-y,x-1/2,-z-1/2
-x-1/2,y,z-1/2
-y-1/2,-x-1/2,z
x,-y-1/2,z-1/2
y,x,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
Se2 Se 0.10469 -0.10469 0.5 1 0.0
Cl2 Cl-1 -0.06136 0.16508 0.14987 1 0.0
Cl1 Cl-1 0.13915 0.13915 -0.10802 1 0.0
Zr1 Zr+4 0 0 0 1 0.0
Se1 Se 0.09053 0.09053 0.58039 1 0.0
