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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/4/12/45/4124501.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_4124501
loop_
_publ_author_name
'Hess, R.F.'
'Gordon, P.L.'
'Tait, C.D.'
'Abney, K.D.'
'Dorhout, P.K.'
_publ_section_title
;
 Synthesis and structural characterization of the first quaternary
 plutonium thiophosphates : K3 Pu (P S4)2 and A Pu P2 S7 (A = K, Rb,Cs)
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              1327
_journal_page_last               1333
_journal_volume                  124
_journal_year                    2002
_chemical_formula_sum            'P2 Pu Rb S7'
_chemical_name_systematic        'Rb Pu (P2 S7)'
_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                 90.564
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.8011
_cell_length_b                   12.3977
_cell_length_c                   9.0263
_cell_volume                     1096.742
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Hess_JACSAT_2002_327.cif
_cod_data_source_block           P2Pu1Rb1S7
_cod_original_cell_volume        1096.743
_cod_original_formula_sum        'P2 Pu1 Rb1 S7'
_cod_database_code               4124501
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
S1 S-2 0.5142 0.4405 0.18 1 0.0
S6 S-2 0.135 0.794 0.1122 1 0.0
S2 S-2 0.168 0.5262 -0.0738 1 0.0
S7 S-2 0.7456 0.9478 -0.0761 1 0.0
Rb1 Rb+1 0.8939 0.6953 0.8673 1 0.0
S4 S-2 0.1324 0.5579 0.29 1 0.0
Pu1 Pu+3 0.3591 0.6428 0.1068 1 0.0
S3 S-2 0.6456 0.691 0.1461 1 0.0
P1 P+5 0.6827 0.9652 0.6989 1 0.0
S5 S-2 0.412 0.8318 -0.0736 1 0.0
P2 P+5 0.7716 0.102 0.0227 1 0.0
