#------------------------------------------------------------------------------
#$Date: 2015-10-09 13:54:19 +0200 (vie 09 de oct de 2015) $
#$Revision: 161872 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/48/1534837.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_1534837
loop_
_publ_author_name
'Gutzmann, A.'
'Bensch, W.'
_publ_section_title
;
 Synthesis and crystal structure of the new quaternary niobium
 thiophosphate Rb2 Nb2 P2 S11
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              835
_journal_page_last               840
_journal_volume                  4
_journal_year                    2002
_chemical_formula_sum            'Nb2 P2 Rb2 S11'
_chemical_name_systematic        'Rb2 (Nb2 S (S2) (P S4)2)'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 98.8
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.7511
_cell_length_b                   7.0532
_cell_length_c                   18.437
_cell_volume                     867.578
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Gutzmann_SSSCFJ_2002_494.cif
_cod_data_source_block           Nb2P2Rb2S11
_cod_original_cell_volume        867.5776
_cod_database_code               1534837
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z
-x,-y,-z
x,-y-1/2,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
S6 S-2 0.2293 0.25 -0.00107 1 0.0
P1 P+5 0.3163 0.25 0.10634 1 0.0
S8 S-2 0.4631 0.25 0.32441 1 0.0
S7 S-2 0.0474 0.48433 0.3344 1 0.0
S5 S-2 0.0984 0.25 0.17346 1 0.0
S1 S-2 0.0532 0.75 0.18335 1 0.0
S4 S-2 0.49102 0.47995 0.1414 1 0.0
Nb1 Nb+4 0.30073 0.54867 0.244444 1 0.0
P2 P+5 0.2045 0.25 0.37475 1 0.0
Rb2 Rb+1 0.77443 0.25 0.49189 1 0.0
Rb1 Rb+1 0.74671 0.25 0.00493 1 0.0
S2 S-1 0.6126 0.75 0.26895 1 0.0
S3 S-1 0.4418 0.75 0.34862 1 0.0
S9 S-2 0.269 0.25 0.48392 1 0.0
