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#$Date: 2015-10-09 23:16:47 +0200 (vie 09 de oct de 2015) $
#$Revision: 163355 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/58/1535865.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_1535865
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 Cl9.98 Nd5 Rb0.9'
_chemical_name_systematic        'Rb.9 (Nd5 (C2)) Cl9.98'
_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                   8.398
_cell_length_b                   8.398
_cell_length_c                   14.88
_cell_volume                     908.836
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Uhrlandt_ZAACAB_1994_1665.cif
_cod_data_source_block           C2Cl9.98Nd5Rb0.9
_cod_original_cell_volume        908.8355
_cod_database_code               1535865
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
Rb1 Rb 0 0 0.5511 0.45 0.0
Nd1 Nd+2 0.3333 0.6667 0.9518 1 0.0
Cl3 Cl-1 0.6667 0.3333 0.812 0.49 0.0
Cl2 Cl-1 0.2406 0.2535 0.25 1 0.0
Nd2 Nd+2 0.4174 0.0371 0.25 1 0.0
Cl1 Cl-1 0.3618 0.3435 0.5658 1 0.0
C1 C 0.6667 0.3333 0.2 1 0.0
