#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/84/1538499.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_1538499
loop_
_publ_author_name
'Preiss, H.'
_publ_section_title
;
 Die Kristallstrukturen der Verbindungen P Cl5 Nb Cl5 und P Cl5 Ta Cl5
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              56
_journal_page_last               64
_journal_volume                  380
_journal_year                    1971
_chemical_formula_sum            'Cl10 P Ta'
_chemical_name_systematic        'P Cl5 Ta Cl5'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                90
_cell_angle_beta                 104.8
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.02
_cell_length_b                   13.48
_cell_length_c                   6.93
_cell_volume                     634.026
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Preiss_ZAACAB_1971_1089.cif
_cod_data_source_block           Cl10P1Ta1
_cod_original_cell_volume        634.0264
_cod_original_formula_sum        'Cl10 P1 Ta1'
_cod_database_code               1538499
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-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
Cl4 Cl-1 0.2987 0.4803 0.2328 1 0.0
Cl7 Cl-1 0.4124 0.099 0.6515 1 0.0
Cl6 Cl-1 0.01 0.6695 0.0898 1 0.0
Cl5 Cl-1 0.8385 0.4575 0.2444 1 0.0
Cl9 Cl-1 0.155 0.2765 0.4792 1 0.0
Cl10 Cl-1 0.5935 0.2688 0.4705 1 0.0
Ta1 Ta+5 0 0 0 1 0.0
P1 P+5 0.4094 0.2423 0.6113 1 0.0
Cl3 Cl-1 0.8242 0.115 0.1296 1 0.0
Cl2 Cl-1 0.2791 0.1039 0.1088 1 0.0
Cl1 Cl-1 0.075 0.9197 0.3071 1 0.0
Ta2 Ta+5 0 0.5 0 1 0.0
Cl8 Cl-1 0.4845 0.3086 0.871 1 0.0
