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#$Date: 2015-01-27 19:58:39 +0000 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/85/1008520.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_1008520
loop_
_publ_author_name
'Eisenmann, B'
'Klein, J'
_publ_section_title
;
SiS~2~-isostrukturelle Anionen (SiP~2~^2-^),(GeAs~2~^2-^) und
(SnAs~2~^2-^) in Alkaliverbindungen
;
_journal_coden_ASTM              JCOMAH
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              109
_journal_page_last               117
_journal_paper_doi               10.1016/0022-5088(91)90355-8
_journal_volume                  175
_journal_year                    1991
_chemical_formula_structural     'K2 (Ge As2)'
_chemical_formula_sum            'As2 Ge K2'
_chemical_name_systematic        'Dipotassium catena-diarsenidogermanate'
_space_group_IT_number           72
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      72
_symmetry_space_group_name_Hall  '-I 2 2c'
_symmetry_space_group_name_H-M   'I b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.292(4)
_cell_length_b                   7.028(3)
_cell_length_c                   6.548(3)
_cell_volume                     611.7
_refine_ls_R_factor_all          0.088
_cod_database_code               1008520
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
-x,y,1/2-z
x,-y,1/2-z
-x,-y,-z
x,y,-z
x,-y,1/2+z
-x,y,1/2+z
1/2+x,1/2+y,1/2+z
1/2-x,1/2-y,1/2+z
1/2-x,1/2+y,-z
1/2+x,1/2-y,-z
1/2-x,1/2-y,1/2-z
1/2+x,1/2+y,1/2-z
1/2+x,1/2-y,z
1/2-x,1/2+y,z
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_22
_atom_site_aniso_U_23
_atom_site_aniso_U_33
K1 0.0343(32) 0.0068(27) 0. 0.0268(27) 0. 0.0419(33)
Ge1 0.0167(15) 0. 0. 0.0175(15) 0. 0.0155(14)
As1 0.0249(13) 0.0083(11) 0. 0.0244(12) 0. 0.0203(11)
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
K1 K1+ 8 j 0.3556(5) 0.3370(9) 0. 1. 0 d
Ge1 Ge4+ 4 b 0.5 0. 0.25 1. 0 d
As1 As3- 8 j 0.1030(2) 0.3269(4) 0. 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
K1+ 1.000
Ge4+ 4.000
As3- -3.000