#------------------------------------------------------------------------------
#$Date: 2015-10-09 18:41:45 +0200 (vie 09 de oct de 2015) $
#$Revision: 162539 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/52/1535258.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_1535258
loop_
_publ_author_name
'Meyer, G.'
'Uhrlandt, S.'
_publ_section_title
;
 Der erste trigonal-bipyramidale Cluster mit interstitieller C2-Hantel in
 (Rb (Pr5 (C2)) Cl10)
;
_journal_name_full               'Angewandte Chemie (German Edition)'
_journal_page_first              1379
_journal_page_last               1381
_journal_volume                  105
_journal_year                    1993
_chemical_formula_sum            'C2 Cl9.98 Pr5 Rb0.93'
_chemical_name_systematic        'Rb0.93 ((C2) (Pr5 Cl8.98)) Cl'
_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                   8.4499
_cell_length_b                   8.4499
_cell_length_c                   14.976
_cell_volume                     926.040
_citation_journal_id_ASTM        ANCEAD
_cod_data_source_file            Meyer_ANCEAD_1993_1577.cif
_cod_data_source_block           C2Cl9.98Pr5Rb0.93
_cod_original_cell_volume        926.0396
_cod_database_code               1535258
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+1 0 0 0.54702 0.465 0.0
Pr1 Pr+1 0.3333 0.6667 0.95224 1 0.0
Cl1 Cl-1 0.36238 0.34365 0.56511 1 0.0
Cl3 Cl-1 0.6667 0.3333 0.81478 0.49 0.0
Pr2 Pr+1 0.41706 0.03646 0.25 1 0.0
C1 C 0.6667 0.3333 0.29968 1 0.0
Cl2 Cl-1 0.24071 0.25407 0.25 1 0.0
