data_1001593
_chemical_name_systematic          'Potassium tecto-vanadatophosphate *'
_chemical_formula_structural       'K (V3 P4 O17)'
_chemical_formula_sum              'K O17 P4 V3'
_publ_section_title
;
A new mixed-valence vanadium phosphate with an intersecting tunnel
structure: KV~3~P~4~O~17~
;
loop_
_publ_author_name
  'Benhamada, L'
  'Grandin, A'
  'Borel, M M'
  'Leclaire, A'
  'Raveau, B'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    97
_journal_year                      1992
_journal_page_first                131
_journal_page_last                 140
_cell_length_a                     7.8654(5)
_cell_length_b                     10.0104(7)
_cell_length_c                     16.2715(8)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       1281.1
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P 21 21 21'
_symmetry_Int_Tables_number        19
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2-x,-y,1/2+z'
  '1/2+x,1/2-y,-z'
  '-x,1/2+y,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  V4+    4.000
  V5+    5.000
  P5+    5.000
  K1+    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
  V1    V4+    4 a 0.7880(7) 0.3222(4) 0.1529(2) 1.  0 d
  V2    V5+    4 a 0.2910(6) 0.2473(5) 0.4940(3) 1.  0 d
  V3    V4+    4 a 0.2846(7) 0.3185(4) 0.1521(3) 1.  0 d
  P1    P5+    4 a 0.1912(8) 0.6357(5) 0.1860(3) 1.  0 d
  P2    P5+    4 a 0.1997(9) 0.5614(5) 0.4655(3) 1.  0 d
  P3    P5+    4 a 0.1902(9) 0.1368(6) 0.3143(3) 1.  0 d
  P4    P5+    4 a 0.192(1) 0.0607(6) 0.0367(3) 1.  0 d
  K1    K1+    4 a 0.504(1) 0.4553(6) 0.3214(3) 1.  0 d
  O1    O2-    4 a 0.998(3) 0.332(1) 0.1631(8) 1.  0 d
  O2    O2-    4 a 0.729(2) 0.248(2) 0.2660(9) 1.  0 d
  O3    O2-    4 a 0.486(3) 0.312(1) 0.1442(8) 1.  0 d
  O4    O2-    4 a 0.760(2) 0.137(2) 0.111(1) 1.  0 d
  O5    O2-    4 a 0.717(3) 0.503(2) 0.198(1) 1.  0 d
  O6    O2-    4 a 0.777(3) 0.382(2) 0.042(1) 1.  0 d
  O7    O2-    4 a 0.313(3) 0.327(2) 0.5958(9) 1.  0 d
  O8    O2-    4 a 0.258(2) 0.084(2) 0.552(1) 1.  0 d
  O9    O2-    4 a 0.483(3) 0.229(2) 0.464(1) 1.  0 d
  O10   O2-    4 a 0.254(2) 0.414(2) 0.447(1) 1.  0 d
  O11   O2-    4 a 0.177(2) 0.173(2) 0.406(1) 1.  0 d
  O12   O2-    4 a 0.274(3) 0.502(2) 0.200(1) 1.  0 d
  O13   O2-    4 a 0.223(3) 0.390(2) 0.040(1) 1.  0 d
  O14   O2-    4 a 0.266(2) 0.247(2) 0.265(1) 1.  0 d
  O15   O2-    4 a 0.228(2) 0.135(2) 0.115(1) 1.  0 d
  O16   O2-    4 a 0.002(3) 0.621(2) 0.2156(9) 1.  0 d
  O17   O2-    4 a 0.003(4) 0.560(2) 0.481(1) 1.  0 d
_refine_ls_R_factor_all            0.053