#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2200048.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_2200048
_journal_name_full  'Acta Crystallographica, Section E'
_journal_year  2001
_journal_volume  57
_journal_page_first  i1
_journal_page_last  i2
_publ_section_title
;
1,1,1,2,2-Pentaiododiphosphanium tetraiodogallate(III)
;
loop_
_publ_author_name
  'Aubauer, Christoph'
  'Klap\"otke, Thomas M. '
  'Mayer, Peter'
_chemical_name_common  'P2 I5 GaI4'
_chemical_formula_moiety  'P2 I5 1+, Ga I4 1-'
_chemical_formula_sum  'Ga I9 P2'
_chemical_formula_iupac  '(P2 I5) [Ga I4]'
_chemical_formula_weight  1273.811
_symmetry_cell_setting  orthorhombic
_symmetry_space_group_name_H-M  'P b c a'
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x+1/2, -y, z+1/2'
  'x+1/2, -y+1/2, -z'
  '-x, y+1/2, -z+1/2'
  '-x, -y, -z'
  'x-1/2, y, -z-1/2'
  '-x-1/2, y-1/2, z'
  'x, -y-1/2, z-1/2'
_cell_length_a  10.7960(5)
_cell_length_b  18.1687(8)
_cell_length_c  20.1886(10)
_cell_angle_alpha  90
_cell_angle_beta  90
_cell_angle_gamma  90
_cell_volume  3960.0(3)
_cell_formula_units_Z  8
_cell_measurement_temperature  200(3)
_exptl_crystal_density_diffrn  4.2732(3)
_diffrn_ambient_temperature  200(3)
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
  Ga  .13672(8)  .21858(5)  .11901(4)  .0215(2) Uani d . 1 . . Ga
  I6  -.00354(5)  .20184(3)  .21770(3)  .03203(16) Uani d . 1 . . I
  I7  .29375(5)  .11255(3)  .10729(3)  .02884(16) Uani d . 1 . . I
  I8  .01101(6)  .22888(3)  .01348(3)  .03364(16) Uani d . 1 . . I
  I9  .26802(5)  .33435(3)  .13418(3)  .02882(16) Uani d . 1 . . I
  P1  .8024(2)  .49494(11)  .12882(11)  .0224(5) Uani d . 1 . . P
  P2  .6664(2)  .42147(12)  .07874(11)  .0239(5) Uani d . 1 . . P
  I1  .75379(5)  .53586(3)  .23890(3)  .03010(16) Uani d . 1 . . I
  I2  .99534(5)  .42794(3)  .13111(3)  .03039(16) Uani d . 1 . . I
  I3  .82519(6)  .60032(4)  .05889(4)  .0455(2) Uani d . 1 . . I
  I4  .65420(6)  .33280(3)  .16800(3)  .03460(17) Uani d . 1 . . I
  I5  .48824(5)  .50114(3)  .09895(3)  .03056(16) Uani d . 1 . . I
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
  Ga  .0243(5)  .0210(4)  .0193(5)  .0012(4)  .0003(4)  .0014(4)
  I6  .0364(3)  .0306(3)  .0291(3)  -.0061(3)  .0121(3)  -.0023(3)
  I7  .0291(3)  .0288(3)  .0286(3)  .0093(2)  .0024(2)  .0051(3)
  I8  .0420(4)  .0345(3)  .0245(3)  .0055(3)  -.0107(3)  .0008(3)
  I9  .0227(3)  .0270(3)  .0368(3)  -.0035(2)  .0042(3)  -.0007(3)
  P1  .0243(11)  .0216(11)  .0213(11)  -.0011(8)  .0014(9)  .0023(10)
  P2  .0293(11)  .0270(11)  .0154(10)  -.0014(9)  -.0003(9)  -.0029(10)
  I1  .0358(3)  .0307(3)  .0238(3)  .0023(2)  -.0058(3)  -.0072(3)
  I2  .0254(3)  .0246(3)  .0412(4)  .0018(2)  .0021(3)  -.0007(3)
  I3  .0445(4)  .0377(4)  .0543(5)  .0032(3)  .0106(3)  .0234(3)
  I4  .0455(4)  .0274(3)  .0309(3)  -.0066(3)  -.0070(3)  .0077(3)
  I5  .0276(3)  .0322(3)  .0319(3)  .0000(2)  -.0019(2)  .0023(3)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  Ga I6 . 2.5210(10) yes
  Ga I8 . 2.5330(10) yes
  Ga I9 . 2.5549(10) yes
  Ga I7 . 2.5771(10) yes
  P1 P2 . 2.227(3) yes
  P1 I3 . 2.391(2) yes
  P1 I1 . 2.401(2) yes
  P1 I2 . 2.413(2) yes
  P2 I4 . 2.421(2) yes
  P2 I5 . 2.442(2) yes
_cod_database_code 2200048