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#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/58/1535869.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_1535869
loop_
_publ_author_name
'Uhrlandt, S.'
'Meyer, G.'
_publ_section_title
;
 Trigonal-bipyramidale Cluster mit interstitiellen C2-Hanteln in den
 Chloriden K (M5 (C2)) Cl10 (M= La, Ce, Pr) und Rb (M5 (C2)) Cl10 (M= Pr,
 Nd)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1872
_journal_page_last               1878
_journal_volume                  620
_journal_year                    1994
_chemical_formula_sum            'C2 Cl10 K Pr5'
_chemical_name_systematic        'K (Pr5 (C2)) Cl10'
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   8.426
_cell_length_b                   8.426
_cell_length_c                   14.894
_cell_volume                     915.767
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Uhrlandt_ZAACAB_1994_1667.cif
_cod_data_source_block           C2Cl10K1Pr5
_cod_original_cell_volume        915.7667
_cod_original_formula_sum        'C2 Cl10 K1 Pr5'
_cod_database_code               1535869
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
-x,-y,-z
-x+y,-x,-z-1/2
y,-x+y,-z
x,y,-z-1/2
x-y,x,-z
-y,x-y,-z-1/2
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
Cl1 Cl-1 0.3582 0.3405 0.564 1 0.0
Pr2 Pr+2 0.4161 0.0363 0.25 1 0.0
Cl3 Cl-1 0.6667 0.3333 0.815 0.513 0.0
C1 C 0.6667 0.3333 0.201 1 0.0
K1 K 0 0 0.5522 0.49 0.0
Pr1 Pr+2 0.3333 0.6667 0.9532 1 0.0
Cl2 Cl-1 0.24 0.2544 0.25 1 0.0
