#------------------------------------------------------------------------------
#$Date: 2015-10-10 01:49:53 +0200 (Sat, 10 Oct 2015) $
#$Revision: 163915 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/62/1536264.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_1536264
loop_
_publ_author_name
'Dashjav, E.'
'Kreiner, G.'
'Schnelle, W.'
'Wagner, F.R.'
'Kniep, R.'
_publ_section_title
;
 Carbomolybdate(III): Zur Kenntnis von P2r2 (Mo2 C3) sowie
 Strukturbeziehungen zu Er2 Mo2 C3
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              2277
_journal_page_last               2286
_journal_volume                  630
_journal_year                    2004
_chemical_formula_sum            'C3 Mo2 Pr2'
_chemical_name_systematic        'Pr2 Mo2 C3'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 111.631
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.9799
_cell_length_b                   6.6515
_cell_length_c                   11.856
_cell_volume                     438.366
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Dashjav_ZAACAB_2004_1612.cif
_cod_data_source_block           C3Mo2Pr2
_cod_original_cell_volume        438.3663
_cod_database_code               1536264
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-y-1/2,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
C3 C-4 0.4932 0.1286 0.1405 1 0.0
Pr2 Pr+3 0.31334 0.28285 0.40681 1 0.0
C2 C-4 0.0528 0.7225 0.4906 1 0.0
Mo1 Mo+3 0.17948 0.75714 0.34411 1 0.0
Pr1 Pr+3 0.27352 0.49809 0.1355 1 0.0
C1 C-4 0.029 0.0163 0.2536 1 0.0
Mo2 Mo+3 0.1799 0.00454 0.11958 1 0.0
