#------------------------------------------------------------------------------
#$Date: 2015-10-10 01:44:16 +0200 (Sat, 10 Oct 2015) $
#$Revision: 163893 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/62/1536249.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_1536249
loop_
_publ_author_name
'Johrendt, D.'
'Mewis, A.'
_publ_section_title
;
 Strukturen aus AlB2- und BaAl4-analogen Einheiten. I: Die Verbindungen
 Sr4Pd5P5 und Sr2Pd3P3
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              169
_journal_page_last               174
_journal_volume                  607
_journal_year                    1992
_chemical_formula_sum            'P5 Pd5 Sr4'
_chemical_name_systematic        'Sr4 Pd5 P5'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.177
_cell_length_b                   31.377
_cell_length_c                   8.581
_cell_volume                     1124.641
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Johrendt_ZAACAB_1992_89.cif
_cod_data_source_block           P5Pd5Sr4
_cod_database_code               1536249
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
x,-y,-z
-x,y,-z+1/2
-x,-y,-z
x,y,-z-1/2
-x,y,z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,y+1/2,-z-1/2
-x+1/2,y+1/2,z
x+1/2,-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
Pd5 Pd+1 0 0.7332 0.25 1 0.0
Pd1 Pd+1 0 0.5002 0.25 1 0.0
P4 P-3 0 0.6556 0.25 1 0.0
P2 P-3 0 0.9568 0.25 1 0.0
P3 P-2 0 0.3431 0.25 1 0.0
Pd3 Pd+1 0 0.8803 0.25 1 0.0
Sr2 Sr+2 0 0.1937 0.0036 1 0.0
Pd4 Pd+1 0 0 0 1 0.0
P1 P-3 0 0.0422 0.25 1 0.0
Pd2 Pd+1 0 0.1182 0.25 1 0.0
Sr1 Sr+2 0 0.4205 0 1 0.0
P5 P-2 0 0.2712 0.25 1 0.0
