#------------------------------------------------------------------------------
#$Date: 2015-01-27 20:58:39 +0100 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/00/84/1008470.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_1008470
loop_
_publ_author_name
'Eisenmann, B'
'Klein, J'
_publ_section_title
;
Zintl-Phasen mit Schichtanionen: Darstellung und Kristallstrukturender
isotypen Verbindungen SrSn~2~As~2~ und Sr~0.87~Ba~0.13~Sn~2~As~2~ sowie
eine Einkristallstrukturbestimmung von KSnSb
;
_journal_coden_ASTM              ZAACAB
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first              93
_journal_page_last               102
_journal_paper_doi               10.1002/zaac.19915980109
_journal_volume                  598
_journal_year                    1991
_chemical_formula_structural     'K Sn Sb'
_chemical_formula_sum            'K Sb Sn'
_chemical_name_systematic        'Potassium tin antimonide'
_space_group_IT_number           186
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   4.350(2)
_cell_length_b                   4.350(2)
_cell_length_c                   13.141(5)
_cell_volume                     215.3
_refine_ls_R_factor_all          0.034
_cod_database_code               1008470
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
y-x,-x,z
-y,-x,z
y-x,y,z
x,x-y,z
-x,-y,1/2+z
y,y-x,1/2+z
x-y,x,1/2+z
y,x,1/2+z
x-y,-y,1/2+z
-x,y-x,1/2+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 0.0310(26) 0.0155(13) 0. 0.0310(26) 0. 0.0211(37)
Sn1 0.0176(7) 0.0088(3) 0. 0.0176(7) 0. 0.0152(10)
Sb1 0.0159(6) 0.0079(3) 0. 0.0159(6) 0. 0.018(1)
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+ 2 b 0.3333 0.6667 0.7018(9) 1. 0 d
Sn1 Sn2+ 2 a 0. 0. 0. 1. 0 d
Sb1 Sb3- 2 b 0.3333 0.6667 0.3923(3) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
K1+ 1.000
Sn2+ 2.000
Sb3- -3.000
