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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/1/53/62/1536260.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_1536260
loop_
_publ_author_name
'Dashjav, E.'
'Kreiner, G.'
'Schnelle, W.'
'Kniep, R.'
'Wagner, F.R.'
_publ_section_title
;
 Carbometallate: Komplexe Anionenverbaende (Mo C(4/2))(6-) in der
 Kristallstruktur von Pr(III)2 (Mo(II) C2)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              689
_journal_page_last               696
_journal_volume                  630
_journal_year                    2004
_chemical_formula_sum            'C2 Mo Pr2'
_chemical_name_systematic        'Pr2 (Mo C2)'
_space_group_IT_number           136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.8129
_cell_length_b                   5.8129
_cell_length_c                   10.3253
_cell_volume                     348.890
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Dashjav_ZAACAB_2004_1160.cif
_cod_data_source_block           C2Mo1Pr2
_cod_original_cell_volume        348.8899
_cod_original_formula_sum        'C2 Mo1 Pr2'
_cod_database_code               1536260
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x+1/2,z+1/2
-x,-y,z
y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
y,x,-z
-x+1/2,y+1/2,-z+1/2
-y,-x,-z
-x,-y,-z
y-1/2,-x-1/2,-z-1/2
x,y,-z
-y-1/2,x-1/2,-z-1/2
-x-1/2,y-1/2,z-1/2
-y,-x,z
x-1/2,-y-1/2,z-1/2
y,x,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
C2 C-4 0 0.5 0 1 0.0
Pr1 Pr+3 0.19675 0.19675 0.34415 1 0.0
C1 C-4 0 0 0.1455 1 0.0
Mo1 Mo+2 0.17673 0.17673 0 1 0.0
