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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/1/53/84/1538498.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_1538498
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 Nb P'
_chemical_name_systematic        'P Cl5 Nb 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                 105.1
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.22
_cell_length_b                   13.7
_cell_length_c                   6.97
_cell_volume                     665.626
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Preiss_ZAACAB_1971_1088.cif
_cod_data_source_block           Cl10Nb1P1
_cod_original_cell_volume        665.6263
_cod_original_formula_sum        'Cl10 Nb1 P1'
_cod_database_code               1538498
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
Cl7 Cl-1 0.4136 0.0972 0.653 1 0.0
Cl1 Cl-1 0.0799 0.9212 0.301 1 0.0
Cl8 Cl-1 0.4848 0.3089 0.8721 1 0.0
P1 P+5 0.4047 0.24 0.6172 1 0.0
Nb2 Nb+5 0 0.5 0 1 0.0
Cl3 Cl-1 0.8205 0.1131 0.1361 1 0.0
Cl4 Cl-1 0.3024 0.4788 0.2307 1 0.0
Nb1 Nb+5 0 0 0 1 0.0
Cl5 Cl-1 0.8327 0.4552 0.2384 1 0.0
Cl10 Cl-1 0.5937 0.2746 0.4793 1 0.0
Cl6 Cl-1 0.0137 0.6633 0.1004 1 0.0
Cl2 Cl-1 0.2735 0.1017 0.1128 1 0.0
Cl9 Cl-1 0.1549 0.2742 0.472 1 0.0
