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#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/61/1536160.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_1536160
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[TAs4] (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 Ta'
_chemical_name_systematic        'K7 (Ta 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                   10.173
_cell_length_b                   9.155
_cell_length_c                   8.305
_cell_volume                     773.476
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Nuss_ZAACAB_1996_443.cif
_cod_data_source_block           As4K7Ta1
_cod_original_cell_volume        773.4764
_cod_original_formula_sum        'As4 K7 Ta1'
_cod_database_code               1536160
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
K3 K+1 0 0.6575 0.3395 1 0.0
As1 As-3 0 0.31452 0.29859 1 0.0
Ta1 Ta+5 0 0.32187 0 1 0.0
K2 K+1 0 0.0963 0.6051 1 0.0
K4 K+1 0.2897 0.5353 0.1262 1 0.0
As2 As-3 0 0.58541 0.91984 1 0.0
K1 K+1 0 0.9585 0.1328 1 0.0
As3 As-3 0.20439 0.18953 0.90461 1 0.0
K5 K+1 0.2854 0.167 0.2921 1 0.0
