data_2002166
_chemical_name_systematic
;
Bis(tetrachlorophosphorus) decachlorodimolybdate(IV)
;
_chemical_formula_structural       '(P Cl4)2 (Mo2 Cl10)'
_chemical_formula_sum              'Cl18 Mo2 P2'
_publ_section_title
;
On tetrachlorophosphonium chlorometallates of rhenium and molybdenum:
Syntheses, crystal structures and magnetism of (P Cl4)2 (Re2 Cl10) and
(P Cl4)3 (Re Cl6)2 and the magnetic properties of (P Cl4)2 (Mo2 Cl10)
;
loop_
_publ_author_name
  'Beck, J'
  'Mueller-Buschbaum, K'
  'Wolf, F'
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_volume                    625
_journal_year                      1999
_journal_page_first                975
_journal_page_last                 981
_cell_length_a                     8.943(7)
_cell_length_b                     9.464(7)
_cell_length_c                     6.930(6)
_cell_angle_alpha                  95.970(6)
_cell_angle_beta                   95.750(6)
_cell_angle_gamma                  100.920(6)
_cell_volume                       568.5
_cell_formula_units_Z              1
_symmetry_space_group_name_H-M     'P -1'
_symmetry_Int_Tables_number        2
_symmetry_cell_setting             triclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Mo4+   4.000
  Cl1-  -1.000
  P5+    5.000
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
  Mo1   Mo4+   2 i 0.36659(3) 0.32704(3) 0.38685(4) 1.  0 d
  Cl1   Cl1-   2 i 0.58115(11) 0.22116(11) 0.38142(14) 1.  0 d
  Cl2   Cl1-   2 i 0.16486(11) 0.44567(12) 0.4225(2) 1.  0 d
  Cl3   Cl1-   2 i 0.28119(12) 0.23996(12) 0.06385(14) 1.  0 d
  Cl4   Cl1-   2 i 0.23130(14) 0.12640(12) 0.5119(2) 1.  0 d
  Cl5   Cl1-   2 i 0.51739(10) 0.55009(10) 0.28177(12) 1.  0 d
  P1    P5+    2 i 0.19097(11) 0.77934(10) 0.04648(14) 1.  0 d
  Cl6   Cl1-   2 i 0.19834(14) 0.58467(12) -0.0580(2) 1.  0 d
  Cl7   Cl1-   2 i 0.05835(13) 0.77247(13) 0.2518(2) 1.  0 d
  Cl8   Cl1-   2 i 0.10854(13) 0.87667(13) -0.1596(2) 1.  0 d
  Cl9   Cl1-   2 i 0.39372(12) 0.88260(12) 0.1517(2) 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
  Mo1   0.0276(2) 0.00400(12) 0.00608(12) 0.0277(2) 0.00219(13) 0.0291(2)
  Cl1   0.0372(5) 0.0140(4) 0.0081(4) 0.0397(5) 0.0044(4) 0.0398(5)
  Cl2   0.0328(5) 0.0138(4) 0.0069(4) 0.0460(6) 0.0015(4) 0.0496(6)
  Cl3   0.0443(5) 0.0047(4) -0.0001(4) 0.0478(6) -0.0035(4) 0.0317(5)
  Cl4   0.0552(6) .0000(4) 0.0237(5) 0.0354(6) 0.0098(4) 0.0552(6)
  Cl5   0.0359(4) 0.0049(3) 0.0055(3) 0.0318(5) 0.0050(3) 0.0269(4)
  P1    0.0319(5) 0.0047(3) 0.0058(4) 0.0307(5) 0.0037(4) 0.0333(5)
  Cl6   0.0555(6) 0.0084(4) 0.0133(5) 0.0345(6) 0.0009(4) 0.0502(6)
  Cl7   0.0452(6) 0.0081(4) 0.0170(4) 0.0561(7) 0.0028(4) 0.0420(5)
  Cl8   0.0493(6) 0.0174(4) 0.0034(4) 0.0506(7) 0.0147(4) 0.0451(6)
  Cl9   0.0371(5) -0.0029(4) .0000(4) 0.0499(6) 0.0063(4) 0.0478(6)
_refine_ls_R_factor_all            0.0377