#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/27/2002752.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_2002752
loop_
_publ_author_name
'Mueller-Buschbaum, Hk'
'Muenchau, S'
_publ_section_title
;
Zur Kenntnis des ersten Alkalimetall-Cadmium-Halogeno-Oxovanadats: K4
Cd V5 O15 Cl
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie,
Organische Chemie (42,1987-)
;
_journal_page_first              493
_journal_page_last               497
_journal_volume                  51
_journal_year                    1996
_chemical_formula_structural     'K4 Cd (V5 O15 Cl)'
_chemical_formula_sum            'Cd Cl K4 O15 V5'
_chemical_name_systematic
;
Tetrapotassium cadmium 15-oxochloropentavanadate
;
_space_group_IT_number           75
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      75
_symmetry_space_group_name_Hall  'P 4'
_symmetry_space_group_name_H-M   'P 4'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   9.097(1)
_cell_length_b                   9.097(1)
_cell_length_c                   5.331(2)
_cell_volume                     441.2
_refine_ls_R_factor_all          0.1429
_cod_database_code               2002752
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
y,-x,z
-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+ 4 d 0.67446(5) 0.16704(5) 0.41955(9) 1. 0 d
Cd1 Cd2+ 1 a 0. 0. 0.84051(5) 1. 0 d
V1 V5+ 4 d 0.38401(3) 0.14370(3) 0.89430(6) 1. 0 d
V2 V5+ 1 b 0.5 0.5 0.8599(2) 1. 0 d
Cl1 Cl1- 1 a 0. 0. 0.3257(2) 1. 0 d
O1 O2- 4 d 0.38859(14) 0.1443(2) 0.2014(2) 1. 0 d
O2 O2- 4 d 0.21352(14) 0.1187(2) 0.7983(3) 1. 0 d
O3 O2- 4 d 0.45109(15) 0.30833(14) 0.7680(2) 1. 0 d
O4 O2- 2 c 0.5 0. 0.7782(3) 1. 0 d
O5 O2- 1 b 0.5 0.5 0.1651(5) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
K1+ 1.000
Cd2+ 2.000
V5+ 5.000
Cl1- -1.000
O2- -2.000
