#------------------------------------------------------------------------------
#$Date: 2015-01-27 20:58:39 +0100 (Tue 27 de Jan de 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/13/1001302.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_1001302
loop_
_publ_author_name
'Choisnet, J'
'Nguyen, N'
'Raveau, B'
_publ_section_title
;
Etude du comportement du germanium dans les structures a tunnels de
section pentagonale: Les silicogermanates K₆ Nb₆ Geₓ Si₄₋ₓ
O₂₆
;
_journal_coden_ASTM              RVCMA8
_journal_name_full               'Revue de Chimie Minerale'
_journal_page_first              311
_journal_page_last               317
_journal_volume                  14
_journal_year                    1977
_chemical_formula_structural     'K6 Nb6 Ge4 O26'
_chemical_formula_sum            'Ge4 K6 Nb6 O26'
_chemical_name_systematic
;
Hexapotassium hexaniobium tetragermanium oxide
;
_space_group_IT_number           189
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      189
_symmetry_space_group_name_Hall  'P -6 -2'
_symmetry_space_group_name_H-M   'P -6 2 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   9.188
_cell_length_b                   9.188
_cell_length_c                   8.123
_cell_volume                     593.9
_refine_ls_R_factor_all          0.088
_cod_database_code               1001302
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
y-x,-x,z
x,y,-z
-y,x-y,-z
y-x,-x,-z
y,x,z
x-y,-y,z
-x,y-x,z
y,x,-z
x-y,-y,-z
-x,y-x,-z
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+ 3 g 0.610(5) 0. 0.5 1. 0 d
K2 K1+ 3 f 0.599(6) 0. 0. 1. 0 d
Ge1 Ge4+ 4 h 0.33333 0.66667 0.219(2) 1. 0 d
Nb1 Nb5+ 6 i 0.232(1) 0. 0.239(2) 1. 0 d
O1 O2- 2 c 0.33333 0.66667 0. 1. 0 d
O2 O2- 3 f 0.228(14) 0. 0. 1. 0 d
O3 O2- 6 i 0.831(6) 0. 0.292(13) 1. 0 d
O4 O2- 12 l 0.478(6) 0.166(6) 0.280(6) 1. 0 d
O5 O2- 3 g 0.256(9) 0. 0.5 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
K1+ 1.000
Ge4+ 4.000
Nb5+ 5.000
O2- -2.000
