#------------------------------------------------------------------------------
#$Date: 2011-09-17 23:27:16 +0300 (Sat, 17 Sep 2011) $
#$Revision: 26029 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2008258.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_2008258
_journal_name_full 'Acta Crystallographica Section C'
_journal_year  1999
_journal_volume 55
_journal_page_first  284
_journal_page_last  286
_publ_section_title
;
 K~4~Ni~7~(AsO~4~)~6~
;
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_[local]_cod_cif_authors_sg_H-M  'C 2/m'
loop_
_publ_author_name
  'Ben Smail, Ridha'
  'Driss, Ahmed'
  'Jouini, Tahar'
_chemical_formula_moiety  'As6 K4 Ni7 O24'
_chemical_formula_sum  'As6 K4 Ni7 O24'
_chemical_formula_structural  'K4Ni7(AsO4)6'
_chemical_formula_weight  1400.89
_symmetry_cell_setting  monoclinique
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, y, -z'
  'x+1/2, y+1/2, z'
  '-x+1/2, y+1/2, -z'
  '-x, -y, -z'
  'x, -y, z'
  '-x+1/2, -y+1/2, -z'
  'x+1/2, -y+1/2, z'
_cell_length_a  10.9742(7)
_cell_length_b  14.4670(10)
_cell_length_c  6.7310(10)
_cell_angle_alpha  90.00
_cell_angle_beta  104.280(10)
_cell_angle_gamma  90.00
_cell_volume  1035.6(2)
_cell_formula_units_Z  2
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  4.493
_diffrn_ambient_temperature  293(2)
_refine_ls_R_factor_obs  0.0339
_refine_ls_wR_factor_obs  0.0798
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_group
_atom_site_type_symbol
  Ni1 0.0000 0.0000 0.0000 0.0086(4) Uani d S 1 . Ni
  Ni2 0.0000 0.37640(10)
  0.0000 0.0090(3) Uani d S 1 . Ni
  Ni3 0.32852(9) 0.69184(7) 0.17630(10)
  0.0078(3) Uani d . 1 . Ni
  As1 0.09083(7) 0.19103(5) 0.27510(10)
  0.0061(2) Uani d . 1 . As
  As2 0.30550(10)
  0.0000 -0.9735(2) 0.0079(3) Uani d S 1 . As
  K1 0.6145(4) 0.1113(3) 0.5179(6) 0.0184(8) Uani d P 0.5 . K
  K2 0.8051(7) 0.5000 0.5350(10) 0.038(2) Uani d SP 0.5 . K
  K3 0.4375(12) 0.5000 0.4797(14) 0.070(4) Uani d SP 0.5 . K
  O1 0.5104(5) 0.7836(4) 0.7738(8) 0.0120(10)
  Uani d . 1 . O
  O2 0.4836(5) 0.6038(4) 0.1995(8) 0.0090(10)
  Uani d . 1 . O
  O3 0.8005(5) 0.2044(4) 0.8636(8) 0.0090(10)
  Uani d . 1 . O
  O4 0.8377(5) 0.1732(4) 0.4818(8) 0.0140(10)
  Uani d . 1 . O
  O5 0.8108(5) 0.4056(4) 0.8788(8) 0.0110(10)
  Uani d . 1 . O
  O6 0.8079(8) 0.0000 0.8506(13) 0.012(2) Uani d S 1 . O
  O7 0.5474(8) 0.0000 0.8147(12) 0.014(2) Uani d S 1 . O
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
  Ni1 0.0095(10) 0.0059(10) 0.0109(9) 0.000 0.0033(8) 0.000
  Ni2 0.0084(7) 0.0070(7) 0.0109(7) 0.000 0.0010(5) 0.000
  Ni3 0.0081(5) 0.0062(5) 0.0088(5) 0.0001(4) 0.0015(4) -0.0009(4)
  As1 0.0052(4) 0.0064(4) 0.0064(4) -0.0007(3) 0.0008(3) 0.0028(3)
  As2 0.0074(5) 0.0036(5) 0.0125(6) 0.000 0.0017(4) 0.000
  K1 0.022(2) 0.017(2) 0.016(2) -0.001(2) 0.0040(10)
  0.0030(10)
  K2 0.045(4) 0.045(4) 0.022(3) 0.000 0.007(3) 0.000
  K3 0.164(12) 0.022(4) 0.034(4) 0.000 0.045(7) 0.000
  O1 0.010(3) 0.013(3) 0.011(3) -0.001(2) 0.000(2) -0.002(2)
  O2 0.010(3) 0.002(3) 0.015(3) -0.001(2) 0.003(2) -0.003(2)
  O3 0.010(3) 0.006(3) 0.011(3) 0.003(2) 0.004(2) 0.003(2)
  O4 0.015(3) 0.020(3) 0.007(3) -0.001(2) 0.001(2) -0.001(2)
  O5 0.010(3) 0.010(3) 0.014(3) 0.001(2) 0.004(2) -0.002(2)
  O6 0.018(4) 0.002(4) 0.019(4) 0.000 0.009(3) 0.000
  O7 0.010(4) 0.015(4) 0.014(4) 0.000 -0.006(3) 0.000
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
  Ni1 O2 3_445 2.052(5) y
  Ni1 O2 7 2.052(5) y
  Ni1 O2 8_455 2.052(5) y
  Ni1 O2 4_545 2.052(5) y
  Ni1 O6 5_656 2.100(8) y
  Ni1 O6 1_454 2.100(8) y
  Ni1 K3 3_444 3.398(9) n
  Ni1 K3 7_556 3.398(9) n
  Ni1 K3 7 3.463(9) n
  Ni1 K3 3_445 3.463(9) n
  Ni2 O1 3_444 2.054(6) y
  Ni2 O1 4_546 2.054(6) y
  Ni2 O5 2_656 2.078(5) y
  Ni2 O5 1_454 2.078(5) y
  Ni2 O7 7_556 2.311(6) y
  Ni2 O7 3_454 2.311(6) y
  Ni2 As2 7_554 2.8230(10) n
  Ni2 As2 3_456 2.8234(13) n
  Ni2 K1 7 3.406(4) n
  Ni2 K1 8_455 3.406(4) n
  Ni2 K1 8_454 3.762(4) n
  Ni2 K1 7_556 3.762(4) n
  Ni3 O3 5_666 2.035(5) y
  Ni3 O5 5_666 2.046(6) y
  Ni3 O4 3_455 2.052(5) y
  Ni3 O3 3_454 2.059(5) y
  Ni3 O2 . 2.100(5) y
  Ni3 O1 2_656 2.169(6) y
  Ni3 As1 3 2.7901(12) n
  Ni3 K3 . 3.478(6) n
  Ni3 K1 5_666 3.479(4) n
  Ni3 K1 3_455 3.850(4) n
  Ni3 K2 5_666 3.877(5) n
  As1 O4 2_656 1.651(5) y
  As1 O3 2_656 1.698(5) y
  As1 O2 3_445 1.715(5) y
  As1 O1 4_546 1.719(6) y
  As1 Ni3 3_445 2.7901(12) n
  As1 K1 8_455 3.272(4) n
  As1 K3 7_556 3.273(5) n
  As1 K1 2_656 3.392(4) n
  As1 K3 3_445 3.676(7) n
  As1 K2 3_445 3.768(5) n
  As2 O6 5_655 1.656(8) y
  As2 O5 3_443 1.698(6) y
  As2 O5 8_453 1.698(6) y
  As2 O7 5_655 1.702(8) y
  As2 Ni2 7_554 2.8234(13) n
  As2 Ni2 3_544 2.8234(13) n
  As2 K2 3_443 3.307(7) n
  As2 K1 2_655 3.382(4) n
  As2 K1 5_655 3.382(4) n
  As2 K2 3_444 3.424(7) n
  As2 K3 7_554 3.773(11) n
  K1 K2 7_656 1.912(6) n
  K1 K1 2_656 2.464(8) n
  K1 O1 5_666 2.592(7) n
  K1 O4 . 2.675(7) n
  K1 O1 6_565 2.748(7) n
  K1 O7 . 2.802(8) n
  K1 O7 5_656 2.966(8) n
  K1 O5 7_656 2.990(7) n
  K1 O3 . 3.009(7) n
  K1 O6 . 3.126(8) n
  K1 O4 7_656 3.162(7) n
  K1 K1 6 3.221(8) n
  K2 K1 4_656 1.912(6) n
  K2 K1 7_656 1.912(6) n
  K2 O6 7_656 2.586(11) n
  K2 K3 5_666 2.640(14) n
  K2 O5 . 2.674(8) n
  K2 O5 6_565 2.674(8) n
  K2 O7 3 2.854(11) n
  K2 O4 7_656 2.943(7) n
  K2 O4 4_656 2.943(7) n
  K2 O7 7_656 3.169(11) n
  K2 As2 3_557 3.307(7) n
  K2 As2 3_556 3.424(7) n
  K3 K3 5_666 1.33(2) n
  K3 O2 6_565 2.557(9) n
  K3 O2 . 2.557(9) n
  K3 O2 2_656 2.597(10) n
  K3 O2 5_666 2.597(10) n
  K3 K2 5_666 2.640(14) n
  K3 O4 8_455 2.735(8) n
  K3 O4 3_455 2.735(8) n
  K3 O6 3_455 3.163(12) n
  K3 As1 4_556 3.273(5) n
  K3 As1 7_556 3.273(5) n
  K3 Ni1 3_556 3.398(9) n
  O1 As1 4_556 1.719(6) n
  O1 Ni2 3_556 2.054(6) n
  O1 Ni3 2_656 2.169(6) n
  O1 K1 5_666 2.592(7) n
  O1 K1 6_565 2.748(7) n
  O2 As1 3 1.715(5) n
  O2 Ni1 3 2.052(5) n
  O2 K3 5_666 2.597(10) n
  O3 As1 2_656 1.698(5) n
  O3 Ni3 5_666 2.035(5) n
  O3 Ni3 3_546 2.059(5) n
  O4 As1 2_656 1.651(5) n
  O4 Ni3 3_545 2.052(5) n
  O4 K3 3_545 2.735(8) n
  O4 K2 7_656 2.943(7) n
  O4 K1 7_656 3.162(7) n
  O5 As2 3_557 1.698(6) n
  O5 Ni3 5_666 2.046(6) n
  O5 Ni2 1_656 2.078(5) n
  O5 K1 7_656 2.990(7) n
  O6 As2 5_655 1.656(8) n
  O6 Ni1 1_656 2.100(8) n
  O6 K2 7_656 2.586(11) n
  O6 K1 6 3.126(8) n
  O6 K3 3_545 3.163(12) n
  O7 As2 5_655 1.702(8) n
  O7 Ni2 7_556 2.311(6) n
  O7 Ni2 3_546 2.311(6) n
  O7 K1 6 2.802(8) n
  O7 K2 3_445 2.854(11) n
  O7 K1 5_656 2.966(8) n
  O7 K1 2_656 2.966(8) n
  O7 K2 7_656 3.169(11) n
_cod_database_code 2008258