#------------------------------------------------------------------------------
#$Date: 2015-10-10 01:45:46 +0200 (Sat, 10 Oct 2015) $
#$Revision: 163897 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/62/1536252.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_1536252
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            'P3 Pd3 Sr2'
_chemical_name_systematic        'Sr2 Pd3 P3'
_space_group_IT_number           47
_symmetry_space_group_name_Hall  '-P 2 2'
_symmetry_space_group_name_H-M   'P m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.199
_cell_length_b                   4.212
_cell_length_c                   34.227
_cell_volume                     605.345
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Johrendt_ZAACAB_1992_90.cif
_cod_data_source_block           P3Pd3Sr2
_cod_original_cell_volume        605.3452
_cod_database_code               1536252
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x,-y,-z
-x,y,-z
-x,-y,-z
x,y,-z
-x,y,z
x,-y,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
P4 P-2 0.5 0 0.2092 1 0.0
P5 P-2 0 0.5 0.3514 1 0.0
P3 P-2 0 0.5 0.2862 1 0.0
Pd3 Pd+1 0 0 0.1104 1 0.0
Pd8 Pd+1 0.5 0.5 0.3904 1 0.0
Sr2 Sr+2 0 0.5 0.1761 1 0.0
Pd6 Pd+1 0.5 0 0.5 1 0.0
Pd7 Pd+1 0 0 0.2495 1 0.0
Sr3 Sr+2 0 0 0.4264 1 0.0
Pd5 Pd+1 0 0.5 0.5 1 0.0
P2 P-2 0.5 0 0.1433 1 0.0
P1 P-3 0 0 0.0386 1 0.0
Sr4 Sr+2 0.5 0 0.3203 1 0.0
Pd4 Pd+1 0 0.5 0 1 0.0
Pd1 Pd+1 0.5 0 0 1 0.0
P6 P-3 0.5 0.5 0.4586 1 0.0
Sr1 Sr+2 0.5 0.5 0.0725 1 0.0
Pd2 Pd+1 0.5 0.5 0.2507 1 0.0
