#------------------------------------------------------------------------------
#$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/2/2300041.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_2300041
_journal_name_full  'Journal of Applied Crystallography'
_journal_year  2004
_journal_volume  37
_journal_page_first  318
_journal_page_last  324
_chemical_formula_sum  'Ag7 Cl O12'
_chemical_formula_weight  982.54
_symmetry_cell_setting  Cubic
_symmetry_space_group_name_H-M  'F m -3 m'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, -y, z'
  '-x, y, -z'
  'x, -y, -z'
  'z, x, y'
  'z, -x, -y'
  '-z, -x, y'
  '-z, x, -y'
  'y, z, x'
  '-y, z, -x'
  'y, -z, -x'
  '-y, -z, x'
  'y, x, -z'
  '-y, -x, -z'
  'y, -x, z'
  '-y, x, z'
  'x, z, -y'
  '-x, z, y'
  '-x, -z, -y'
  'x, -z, y'
  'z, y, -x'
  'z, -y, x'
  '-z, y, x'
  '-z, -y, -x'
  'x, y+1/2, z+1/2'
  '-x, -y+1/2, z+1/2'
  '-x, y+1/2, -z+1/2'
  'x, -y+1/2, -z+1/2'
  'z, x+1/2, y+1/2'
  'z, -x+1/2, -y+1/2'
  '-z, -x+1/2, y+1/2'
  '-z, x+1/2, -y+1/2'
  'y, z+1/2, x+1/2'
  '-y, z+1/2, -x+1/2'
  'y, -z+1/2, -x+1/2'
  '-y, -z+1/2, x+1/2'
  'y, x+1/2, -z+1/2'
  '-y, -x+1/2, -z+1/2'
  'y, -x+1/2, z+1/2'
  '-y, x+1/2, z+1/2'
  'x, z+1/2, -y+1/2'
  '-x, z+1/2, y+1/2'
  '-x, -z+1/2, -y+1/2'
  'x, -z+1/2, y+1/2'
  'z, y+1/2, -x+1/2'
  'z, -y+1/2, x+1/2'
  '-z, y+1/2, x+1/2'
  '-z, -y+1/2, -x+1/2'
  'x+1/2, y, z+1/2'
  '-x+1/2, -y, z+1/2'
  '-x+1/2, y, -z+1/2'
  'x+1/2, -y, -z+1/2'
  'z+1/2, x, y+1/2'
  'z+1/2, -x, -y+1/2'
  '-z+1/2, -x, y+1/2'
  '-z+1/2, x, -y+1/2'
  'y+1/2, z, x+1/2'
  '-y+1/2, z, -x+1/2'
  'y+1/2, -z, -x+1/2'
  '-y+1/2, -z, x+1/2'
  'y+1/2, x, -z+1/2'
  '-y+1/2, -x, -z+1/2'
  'y+1/2, -x, z+1/2'
  '-y+1/2, x, z+1/2'
  'x+1/2, z, -y+1/2'
  '-x+1/2, z, y+1/2'
  '-x+1/2, -z, -y+1/2'
  'x+1/2, -z, y+1/2'
  'z+1/2, y, -x+1/2'
  'z+1/2, -y, x+1/2'
  '-z+1/2, y, x+1/2'
  '-z+1/2, -y, -x+1/2'
  'x+1/2, y+1/2, z'
  '-x+1/2, -y+1/2, z'
  '-x+1/2, y+1/2, -z'
  'x+1/2, -y+1/2, -z'
  'z+1/2, x+1/2, y'
  'z+1/2, -x+1/2, -y'
  '-z+1/2, -x+1/2, y'
  '-z+1/2, x+1/2, -y'
  'y+1/2, z+1/2, x'
  '-y+1/2, z+1/2, -x'
  'y+1/2, -z+1/2, -x'
  '-y+1/2, -z+1/2, x'
  'y+1/2, x+1/2, -z'
  '-y+1/2, -x+1/2, -z'
  'y+1/2, -x+1/2, z'
  '-y+1/2, x+1/2, z'
  'x+1/2, z+1/2, -y'
  '-x+1/2, z+1/2, y'
  '-x+1/2, -z+1/2, -y'
  'x+1/2, -z+1/2, y'
  'z+1/2, y+1/2, -x'
  'z+1/2, -y+1/2, x'
  '-z+1/2, y+1/2, x'
  '-z+1/2, -y+1/2, -x'
  '-x, -y, -z'
  'x, y, -z'
  'x, -y, z'
  '-x, y, z'
  '-z, -x, -y'
  '-z, x, y'
  'z, x, -y'
  'z, -x, y'
  '-y, -z, -x'
  'y, -z, x'
  '-y, z, x'
  'y, z, -x'
  '-y, -x, z'
  'y, x, z'
  '-y, x, -z'
  'y, -x, -z'
  '-x, -z, y'
  'x, -z, -y'
  'x, z, y'
  '-x, z, -y'
  '-z, -y, x'
  '-z, y, -x'
  'z, -y, -x'
  'z, y, x'
  '-x, -y+1/2, -z+1/2'
  'x, y+1/2, -z+1/2'
  'x, -y+1/2, z+1/2'
  '-x, y+1/2, z+1/2'
  '-z, -x+1/2, -y+1/2'
  '-z, x+1/2, y+1/2'
  'z, x+1/2, -y+1/2'
  'z, -x+1/2, y+1/2'
  '-y, -z+1/2, -x+1/2'
  'y, -z+1/2, x+1/2'
  '-y, z+1/2, x+1/2'
  'y, z+1/2, -x+1/2'
  '-y, -x+1/2, z+1/2'
  'y, x+1/2, z+1/2'
  '-y, x+1/2, -z+1/2'
  'y, -x+1/2, -z+1/2'
  '-x, -z+1/2, y+1/2'
  'x, -z+1/2, -y+1/2'
  'x, z+1/2, y+1/2'
  '-x, z+1/2, -y+1/2'
  '-z, -y+1/2, x+1/2'
  '-z, y+1/2, -x+1/2'
  'z, -y+1/2, -x+1/2'
  'z, y+1/2, x+1/2'
  '-x+1/2, -y, -z+1/2'
  'x+1/2, y, -z+1/2'
  'x+1/2, -y, z+1/2'
  '-x+1/2, y, z+1/2'
  '-z+1/2, -x, -y+1/2'
  '-z+1/2, x, y+1/2'
  'z+1/2, x, -y+1/2'
  'z+1/2, -x, y+1/2'
  '-y+1/2, -z, -x+1/2'
  'y+1/2, -z, x+1/2'
  '-y+1/2, z, x+1/2'
  'y+1/2, z, -x+1/2'
  '-y+1/2, -x, z+1/2'
  'y+1/2, x, z+1/2'
  '-y+1/2, x, -z+1/2'
  'y+1/2, -x, -z+1/2'
  '-x+1/2, -z, y+1/2'
  'x+1/2, -z, -y+1/2'
  'x+1/2, z, y+1/2'
  '-x+1/2, z, -y+1/2'
  '-z+1/2, -y, x+1/2'
  '-z+1/2, y, -x+1/2'
  'z+1/2, -y, -x+1/2'
  'z+1/2, y, x+1/2'
  '-x+1/2, -y+1/2, -z'
  'x+1/2, y+1/2, -z'
  'x+1/2, -y+1/2, z'
  '-x+1/2, y+1/2, z'
  '-z+1/2, -x+1/2, -y'
  '-z+1/2, x+1/2, y'
  'z+1/2, x+1/2, -y'
  'z+1/2, -x+1/2, y'
  '-y+1/2, -z+1/2, -x'
  'y+1/2, -z+1/2, x'
  '-y+1/2, z+1/2, x'
  'y+1/2, z+1/2, -x'
  '-y+1/2, -x+1/2, z'
  'y+1/2, x+1/2, z'
  '-y+1/2, x+1/2, -z'
  'y+1/2, -x+1/2, -z'
  '-x+1/2, -z+1/2, y'
  'x+1/2, -z+1/2, -y'
  'x+1/2, z+1/2, y'
  '-x+1/2, z+1/2, -y'
  '-z+1/2, -y+1/2, x'
  '-z+1/2, y+1/2, -x'
  'z+1/2, -y+1/2, -x'
  'z+1/2, y+1/2, x'
_cell_length_a  9.955(6)
_cell_length_b  9.955(6)
_cell_length_c  9.955(6)
_cell_angle_alpha  90.00
_cell_angle_beta  90.00
_cell_angle_gamma  90.00
_cell_volume  986.5(10)
_cell_formula_units_Z  4
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  6.615
_diffrn_ambient_temperature  293(2)
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
  Ag1 0.0000 0.5000 0.0000 0.0128(4) Uani d S 1 . . Ag
  Ag2 0.0000 0.7500 -0.2500 0.0134(4) Uani d S 1 . . Ag
  O1 0.1406(3) 0.6406(3) -0.1406(3) 0.0195(10) Uani d S 1 . . O
  Cl1 0.0000 0.5000 -0.5000 0.050 Uiso d S 1 . . Cl
  O2 0.0000 0.5000 -0.6410 0.060 Uiso d SP 0.17 . . O
  O3 0.0000 0.6330 -0.4530 0.060 Uiso d SP 0.04 . . O
  O4 0.1150 0.4340 -0.4530 0.060 Uiso d P 0.04 . . 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
  Ag1 0.0128(4) 0.0128(4) 0.0128(4) 0.000 0.000 0.000
  Ag2 0.0125(4) 0.0138(4) 0.0138(4) 0.000 0.000 0.00157(15)
  O1 0.0195(10) 0.0195(10) 0.0195(10) 0.0023(10) -0.0023(10) -0.0023(10)
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
  Ag1 O1 98 2.424(5) ?
  Ag1 O1 2_565 2.424(5) ?
  Ag1 O1 100 2.424(5) ?
  Ag1 O1 97_565 2.424(5) ?
  Ag1 O1 4_565 2.424(5) ?
  Ag1 O1 3 2.424(5) ?
  Ag1 O1 99_565 2.424(5) ?
  Ag1 O1 . 2.424(5) ?
  Ag2 O1 100 2.0812(17) ?
  Ag2 O1 28_564 2.0812(17) ?
  Ag2 O1 121_564 2.0812(17) ?
  Ag2 O1 . 2.0812(17) ?
  Ag2 O4 165_464 2.3195 ?
  Ag2 O4 93 2.3195 ?
  Ag2 O4 152_564 2.3195 ?
  Ag2 O4 80_455 2.3195 ?
  Ag2 O4 190_455 2.3195 ?
  Ag2 O4 55_464 2.3195 ?
  Ag2 O4 175 2.3195 ?
  Ag2 O4 70_564 2.3195 ?
  O1 Ag2 10_665 2.0812(17) ?
  O1 Ag2 77_554 2.0812(17) ?
  Cl1 O4 166_454 1.4004 ?
  Cl1 O4 70_564 1.4004 ?
  Cl1 O4 113_554 1.4004 ?
  Cl1 O4 17_565 1.4004 ?
  Cl1 O4 184_454 1.4004 ?
  Cl1 O4 88 1.4004 ?
  Cl1 O4 155_564 1.4004 ?
  Cl1 O4 59_454 1.4004 ?
  Cl1 O4 175 1.4004 ?
  Cl1 O4 79_454 1.4004 ?
  Cl1 O4 99_565 1.4004 ?
  Cl1 O4 3_554 1.4004 ?
  O2 O3 17_565 0.4746 ?
  O2 O3 78 0.4746 ?
  O2 O3 114 0.4746 ?
  O2 O3 173_455 0.4746 ?
  O2 O4 167_564 0.8471 ?
  O2 O4 58_564 0.8471 ?
  O2 O4 166_454 0.8471 ?
  O2 O4 59_454 0.8471 ?
  O2 O4 72_464 0.8471 ?
  O2 O4 153_554 0.8471 ?
  O2 O4 69_554 0.8471 ?
  O2 O4 156_464 0.8471 ?
  O3 O2 153_554 0.4746 ?
  O3 O4 175 0.5355 ?
  O3 O4 80_455 0.5355 ?
  O3 O3 166_454 0.6617 ?
  O3 O3 69_554 0.6617 ?
  O3 O4 182_455 0.6810 ?
  O3 O4 88 0.6810 ?
  O3 O3 98_554 0.9358 ?
  O3 O4 70_564 1.0592 ?
  O3 O4 165_464 1.0592 ?
  O3 O4 85_454 1.1573 ?
  O3 O4 183_554 1.1573 ?
  O4 O4 114 0.2675 ?
  O4 O3 154_454 0.5355 ?
  O4 O3 182_455 0.6810 ?
  O4 O4 181 0.6898 ?
  O4 O2 173_455 0.8471 ?
  O4 O4 60_554 0.8555 ?
  O4 O4 78 0.8555 ?
  O4 O4 98_554 0.9358 ?
  O4 O4 168_554 0.9573 ?
  O4 O3 70_564 1.0593 ?
  O4 O4 17_565 1.1407 ?
  O4 O4 20_554 1.1407 ?
_cod_database_code 2300041