#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/61/1536156.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_1536156
loop_
_publ_author_name
'Nuss, J.'
'Cardoso Gil, R.H.'
'Peters, K.'
'Hoenle, W.'
'von Schnering, H.G.'
_publ_section_title
;
 Synthese, Struktur und Eigenschaften der Tetraarsenidometallate(V) M7 (T
 As4) (M= K, Rb; T= Nb, Ta)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1854
_journal_page_last               1864
_journal_volume                  622
_journal_year                    1996
_chemical_formula_sum            'As4 K7 Nb'
_chemical_name_systematic        'K7 (Nb As4)'
_space_group_IT_number           31
_symmetry_space_group_name_Hall  'P 2ac -2'
_symmetry_space_group_name_H-M   'P m n 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.192
_cell_length_b                   9.162
_cell_length_c                   8.306
_cell_volume                     775.607
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Nuss_ZAACAB_1996_441.cif
_cod_data_source_block           As4K7Nb1
_cod_original_cell_volume        775.6068
_cod_original_formula_sum        'As4 K7 Nb1'
_cod_database_code               1536156
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
-x,y,z
x+1/2,-y,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
K1 K+1 0 0.9592 0.1313 1 0.0
As1 As-3 0 0.31573 0.29984 1 0.0
K4 K+1 0.28882 0.53532 0.1263 1 0.0
As2 As-3 0 0.58617 0.92081 1 0.0
Nb1 Nb+5 0 0.32223 0 1 0.0
K5 K+1 0.28483 0.16677 0.2931 1 0.0
K2 K+1 0 0.0963 0.6052 1 0.0
K3 K+1 0 0.6583 0.3405 1 0.0
As3 As-3 0.20529 0.18926 0.90547 1 0.0
