#------------------------------------------------------------------------------
#$Date: 2015-10-09 23:20:17 +0200 (Fri, 09 Oct 2015) $
#$Revision: 163371 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/58/1535874.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_1535874
loop_
_publ_author_name
'Uhrlandt, S.'
'Meyer, G.'
_publ_section_title
;
 Ternaere Chloride mit trigonal-bipyramidalen Clustern: (M4 (C2)) Cl9 (M=
 La-Pr)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1299
_journal_page_last               1303
_journal_volume                  621
_journal_year                    1995
_chemical_formula_sum            'C2 Cl9 Pr5'
_chemical_name_systematic        '(Pr5 (C2)) Cl9'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                84.77
_cell_angle_beta                 85.42
_cell_angle_gamma                61.26
_cell_formula_units_Z            2
_cell_length_a                   8.526
_cell_length_b                   8.592
_cell_length_c                   11.82
_cell_volume                     755.407
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Uhrlandt_ZAACAB_1995_1700.cif
_cod_data_source_block           C2Cl9Pr5
_cod_original_cell_volume        755.4073
_cod_database_code               1535874
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
C2 C-3 0.8293 0.3121 0.3114 1 0.0
Cl9 Cl-1 0.8376 0.1315 0.7429 1 0.0
Cl7 Cl-1 0.511 0.0153 0.7699 1 0.0
Cl6 Cl-1 0.6076 0.5875 0.723 1 0.0
C1 C-3 0.8581 0.3027 0.187 1 0.0
Cl1 Cl-1 0.5 0.5 0 1 0.0
Cl4 Cl-1 0.2178 0.3305 0.03095 1 0.0
Cl8 Cl-1 0.1759 0.0527 0.50598 1 0.0
Pr2 Pr+3 0.103 0.7032 0.0077 1 0.0
Cl2 Cl-1 0 0.5 0.5 1 0.0
Cl5 Cl-1 0.0795 0.3371 0.76973 1 0.0
Pr1 Pr+3 0.23322 0.91975 0.74252 1 0.0
Pr5 Pr+3 0.87037 0.73376 0.72984 1 0.0
Cl3 Cl-1 0.5418 0.676 0.4478 1 0.0
Pr3 Pr+3 0.20541 0.68176 0.49254 1 0.0
Pr4 Pr+3 0.38915 0.40154 0.78318 1 0.0
Cl10 Cl-1 0.7788 0.0407 0.02138 1 0.0
