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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/21/1542121.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_1542121
loop_
_publ_author_name
'Habenschuss, A.'
'Spedding, F.H.'
_publ_section_title
;
 Di-mue-chloro-bis(heptaaquapraseodymium(III)) tetrachloride
;
_journal_name_full               'Crystal Structure Communications'
_journal_page_first              535
_journal_page_last               541
_journal_volume                  7
_journal_year                    1978
_chemical_formula_sum            'Cl6 H28 O14 Pr2'
_chemical_name_systematic        '((H2 O)7 Pr Cl2 Pr (H2 O)7) Cl4'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                107.45
_cell_angle_beta                 98.32
_cell_angle_gamma                71.44
_cell_formula_units_Z            1
_cell_length_a                   8.232
_cell_length_b                   9.164
_cell_length_c                   7.984
_cell_volume                     543.887
_citation_journal_id_ASTM        CSCMCS
_cod_data_source_file            Habenschuss_CSCMCS_1978_1371.cif
_cod_data_source_block           H28Cl6O14Pr2
_cod_original_cell_volume        543.8873
_cod_original_formula_sum        'H28 Cl6 O14 Pr2'
_cod_database_code               1542121
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
O6 O-2 0.7305 0.3497 -0.012 1 0.0
O5 O-2 0.8473 0.0557 0.1112 1 0.0
Pr1 Pr+3 0.6873 0.3266 0.2836 1 0.0
O4 O-2 0.6022 0.6178 0.2779 1 0.0
O7 O-2 0.4909 0.202 0.0497 1 0.0
O3 O-2 0.9619 0.3908 0.2828 1 0.0
O1 O-2 0.9226 0.1802 0.4677 1 0.0
O2 O-2 0.583 0.1614 0.4175 1 0.0
Cl1 Cl-1 0.6757 0.5119 0.6468 1 0.0
Cl2 Cl-1 0.7197 0.9747 0.7071 1 0.0
Cl3 Cl-1 0.8885 0.7186 0.1555 1 0.0
