data_2002752
_chemical_name_systematic
;
Tetrapotassium cadmium 15-oxochloropentavanadate
;
_chemical_formula_structural       'K4 Cd (V5 O15 Cl)'
_chemical_formula_sum              'Cd Cl K4 O15 V5'
_publ_section_title
;
Zur Kenntnis des ersten Alkalimetall-Cadmium-Halogeno-Oxovanadats: K4
Cd V5 O15 Cl
;
loop_
_publ_author_name
  'Mueller-Buschbaum, Hk'
  'Muenchau, S'
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie,
Organische Chemie (42,1987-)
;
_journal_volume                    51
_journal_year                      1996
_journal_page_first                493
_journal_page_last                 497
_cell_length_a                     9.097(1)
_cell_length_b                     9.097(1)
_cell_length_c                     5.331(2)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       441.2
_cell_formula_units_Z              1
_symmetry_space_group_name_H-M     'P 4'
_symmetry_Int_Tables_number        75
_symmetry_cell_setting             tetragonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,z'
  'y,-x,z'
  '-y,x,z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  K1+    1.000
  Cd2+   2.000
  V5+    5.000
  Cl1-  -1.000
  O2-   -2.000
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+    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_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    0.0258(2) -0.0098(2) -0.0027(2) 0.0431(3) 0.0029(2) 0.0199(2)
  Cd1   0.01230(6) 0. 0. 0.01230(6) 0. 0.00721(12)
  V1    0.01426(12) -0.00146(12) -0.0010(2) 0.01278(12) 0.0001(2) 0.0149(2)
  V2    0.00978(15) 0. 0. 0.00978(15) 0. 0.0209(4)
  Cl1   0.0270(3) 0. 0. 0.0270(3) 0. 0.0138(5)
  O1    0.0231(7) 0.0012(7) -0.0014(6) 0.0171(7) 0.0013(6) 0.0144(7)
  O2    0.0219(7) -0.0203(6) -0.0146(7) 0.0541(9) 0.0265(7) 0.0336(9)
  O3    0.0387(8) -0.0103(7) 0.0063(7) 0.0144(7) -0.0009(6) 0.0310(9)
  O4    0.0344(11) 0.0093(11) 0. 0.0324(11) 0. 0.0285(14)
  O5    0.0233(10) 0. 0. 0.0233(10) 0. 0.015(2)
_refine_ls_R_factor_all            0.1429