#------------------------------------------------------------------------------
#$Date: 2015-10-09 17:01:57 +0200 (Fri, 09 Oct 2015) $
#$Revision: 162339 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/51/1535137.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_1535137
loop_
_publ_author_name
'Mattfeld, H.'
'Meyer, G.'
_publ_section_title
;
 Na2(Pr4O2)Cl9 and K2(PR4O2)Cl9, the first reduced quaternary praseodymium
 chlorides with anti-SiS2 analogous (Pr4/2O) chains
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              85
_journal_page_last               89
_journal_volume                  620
_journal_year                    1994
_chemical_formula_sum            'Cl9 K2 O2 Pr4'
_chemical_name_systematic        'K2 Pr4 Cl9 O2'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.94
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.206
_cell_length_b                   11.332
_cell_length_c                   9.492
_cell_volume                     856.669
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Mattfeld_ZAACAB_1994_1549.cif
_cod_data_source_block           Cl9K2O2Pr4
_cod_database_code               1535137
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z
-x,-y,-z
x,-y-1/2,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
O1 O-2 0.5638 0.1282 0.0129 1 0.0
Pr3 Pr+2 0.2825 0.04344 0.9554 1 0.0
Cl2 Cl-1 0.2455 0.25 0.7504 1 0.0
Cl5 Cl-1 0.4894 0.9997 0.2795 1 0.0
Cl3 Cl-1 0.5857 0.25 0.5192 1 0.0
Cl6 Cl-1 0.8806 0.0928 0.295 1 0.0
Pr2 Pr+2 0.6027 0.25 0.2169 1 0.0
K1 K+1 0.2383 0.0531 0.4496 1 0.0
Pr1 Pr+2 0.6085 0.25 0.8294 1 0.0
Cl1 Cl-1 0.2444 0.25 0.139 1 0.0
Cl4 Cl-1 0.8983 0.4006 0.8784 1 0.0
