#------------------------------------------------------------------------------
#$Date: 2014-07-11 15:35:18 +0100 (Fri, 11 Jul 2014) $
#$Revision: 120071 $
#$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
_chemical_name_systematic          'Dipotassium catena-diarsenidogermanate'
_chemical_formula_structural       'K2 (Ge As2)'
_chemical_formula_sum              'As2 Ge K2'
_publ_section_title
;
SiS~2~-isostrukturelle Anionen (SiP~2~^2-^),(GeAs~2~^2-^) und
(SnAs~2~^2-^) in Alkaliverbindungen
;
loop_
_publ_author_name
  'Eisenmann, B'
  'Klein, J'
_journal_name_full                 'Journal of the Less-Common Metals'
_journal_coden_ASTM                JCOMAH
_journal_volume                    175
_journal_year                      1991
_journal_page_first                109
_journal_page_last                 117
_cell_length_a                     13.292(4)
_cell_length_b                     7.028(3)
_cell_length_c                     6.548(3)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       611.7
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'I b a m'
_symmetry_Int_Tables_number        72
_symmetry_cell_setting             orthorhombic
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_type_symbol
_atom_type_oxidation_number
  K1+    1.000
  Ge4+   4.000
  As3-  -3.000
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_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)
_refine_ls_R_factor_all            0.088
_cod_database_code 1008520
_journal_paper_doi 10.1016/0022-5088(91)90355-8