#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1011091.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_1011091
_chemical_name_systematic          'Gold(IV) telluride'
_chemical_name_mineral             'Krennerite'
_chemical_compound_source          'from Cripple Creek, Colorado'
_chemical_formula_structural       'Au Te2'
_chemical_formula_sum              'Au Te2'
_publ_section_title                'The crystal structure of Krennerite'
loop_
_publ_author_name
  'Tunell, G'
  'Ksanda, C J'
_journal_name_full
;
Journal of the Washington Academy of Sciences
;
_journal_coden_ASTM                JWASA3
_journal_volume                    26
_journal_year                      1936
_journal_page_first                507
_journal_page_last                 527
_cell_length_a                     16.509990000(29999998)
_cell_length_b                     8.80(3)
_cell_length_c                     4.45(3)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       646.5
_cell_formula_units_Z              8
_symmetry_space_group_name_H-M     'P m a 2'
_symmetry_Int_Tables_number        28
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,z'
  '1/2-x,y,z'
  '1/2+x,-y,z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Au1+   1.000
  Au3+   3.000
  Te0    0.000
  Te2-  -2.000
  Te1-  -1.000
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
  Au1   Au1+   2 a 0. 0. 0. 1.  0 d
  Au2   Au1+   2 c 0.25 0.32 0.01 1.  0 d
  Au3   Au3+   4 d 0.12 0.67 0.5 1.  0 d
  Te1   Te0    2 c 0.25 0.03 0.04 1.  0 d
  Te2   Te2-   2 c 0.25 0.63 0.04 1.  0 d
  Te3   Te1-   4 d 0. 0.3 0.04 1.  0 d
  Te4   Te1-   4 d 0.13 0.37 0.5 1.  0 d
  Te5   Te1-   4 d 0.12 0.97 0.5 1.  0 d
_cod_database_code 1011091