#------------------------------------------------------------------------------
#$Date: 2008-11-20 19:58:43 +0000 (Thu, 20 Nov 2008) $
#$Revision: 481 $
#$URL: svn://www.crystallography.net/cod/cif/2/2006887.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_2006887
_journal_name_full 'Acta Crystallographica Section C'
_journal_year  1997
_journal_volume 53
_journal_page_first  1748
_journal_page_last  1751
_publ_section_title
;
Cerous Silver Nitrate, Ag~6~Ce(NO~3~)~9~
;
loop_
_publ_author_name
  'Audebrand, Nathalie'
  "Auffr\'edic, Jean-Paul"
  "B\'enard-Rocherull\'e, Patricia"
  'Lou\"er, Daniel'
_chemical_formula_moiety  'Ag6 Ce1 (N O3)9'
_chemical_formula_sum  'Ag6 Ce N9 O27'
_chemical_formula_weight  1345.43
_symmetry_cell_setting  Trigonal
_symmetry_space_group_name_H-M  'R -3 c'
_symmetry_space_group_name_Hall  '-R 3 2"c'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-y, x-y, z'
  '-x+y, -x, z'
  '-y, -x, z+1/2'
  'x, x-y, z+1/2'
  '-x+y, y, z+1/2'
  'x+2/3, y+1/3, z+1/3'
  '-y+2/3, x-y+1/3, z+1/3'
  '-x+y+2/3, -x+1/3, z+1/3'
  '-y+2/3, -x+1/3, z+5/6'
  'x+2/3, x-y+1/3, z+5/6'
  '-x+y+2/3, y+1/3, z+5/6'
  'x+1/3, y+2/3, z+2/3'
  '-y+1/3, x-y+2/3, z+2/3'
  '-x+y+1/3, -x+2/3, z+2/3'
  '-y+1/3, -x+2/3, z+7/6'
  'x+1/3, x-y+2/3, z+7/6'
  '-x+y+1/3, y+2/3, z+7/6'
  '-x, -y, -z'
  'y, -x+y, -z'
  'x-y, x, -z'
  'y, x, -z-1/2'
  '-x, -x+y, -z-1/2'
  'x-y, -y, -z-1/2'
  '-x+2/3, -y+1/3, -z+1/3'
  'y+2/3, -x+y+1/3, -z+1/3'
  'x-y+2/3, x+1/3, -z+1/3'
  'y+2/3, x+1/3, -z-1/6'
  '-x+2/3, -x+y+1/3, -z-1/6'
  'x-y+2/3, -y+1/3, -z-1/6'
  '-x+1/3, -y+2/3, -z+2/3'
  'y+1/3, -x+y+2/3, -z+2/3'
  'x-y+1/3, x+2/3, -z+2/3'
  'y+1/3, x+2/3, -z+1/6'
  '-x+1/3, -x+y+2/3, -z+1/6'
  'x-y+1/3, -y+2/3, -z+1/6'
_cell_length_a  16.402(2)
_cell_length_b  16.402(2)
_cell_length_c  14.573(2)
_cell_angle_alpha  90
_cell_angle_beta  90
_cell_angle_gamma  120
_cell_volume  3395.3(7)
_cell_formula_units_Z  6
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  3.948
_diffrn_ambient_temperature  293(2)
_refine_ls_R_factor_obs  .0397
_refine_ls_wR_factor_obs  .1075
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
  Ce 0 0 0  .0187(2) Uani d S 1 . Ce
  Ag1  .20633(4)  .0000  .2500  .0360(3) Uani d S 1 . Ag
  Ag2  .38513(4)  .0000  .2500  .0421(3) Uani d S 1 . Ag
  N1  .5664(4)  .0000  .2500  .0262(13) Uani d S 1 . N
  O11  .6418(4)  .0000  .2500  .056(2) Uani d S 1 . O
  O12  .8484(3)  .2075(3)  .4860(3)  .0340(9) Uani d . 1 . O
  N2  .9512(4)  .8275(3)  .1174(4)  .0273(10) Uani d . 1 . N
  O21  .9631(3)  .0822(3)  .1348(3)  .0338(10) Uani d . 1 . O
  O22  .8488(3)  .8428(3)  .9492(3)  .0298(9) Uani d . 1 . O
  O23  .9305(4)  .7591(3)  .1657(4)  .0461(13) Uani d . 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
  Ce  .0170(3)  .0170(3)  .0223(3)  .00848(13)  .000  .000
  Ag1  .0373(3)  .0482(5)  .0262(3)  .0241(2)  -.00432(14)  -.0086(3)
  Ag2  .0280(3)  .0301(4)  .0690(6)  .0150(2)  -.0047(2)  -.0095(3)
  N1  .025(2)  .032(3)  .024(3)  .016(2)  .0003(13)  .001(3)
  O11  .039(3)  .095(7)  .052(5)  .048(4)  -.004(2)  -.008(5)
  O12  .036(2)  .038(2)  .028(2)  .019(2)  .010(2)  .002(2)
  N2  .025(2)  .024(2)  .030(2)  .010(2)  -.006(2)  .006(2)
  O21  .027(2)  .033(2)  .037(2)  .012(2)  -.005(2)  -.011(2)
  O22  .031(2)  .021(2)  .036(2)  .012(2)  -.006(2)  .001(2)
  O23  .058(3)  .034(3)  .045(3)  .021(2)  .004(2)  .016(2)
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
  Ce O21 21_445 2.619(5) yes
  Ce O21 3_665 2.619(5) yes
  Ce O21 19_655 2.619(5) yes
  Ce O21 2_545 2.619(5) yes
  Ce O21 20_565 2.619(5) yes
  Ce O21 1_455 2.619(5) yes
  Ce O22 1_444 2.637(4) yes
  Ce O22 19_666 2.637(4) yes
  Ce O22 20_456 2.637(4) yes
  Ce O22 21_546 2.637(4) yes
  Ce O22 2_654 2.637(4) yes
  Ce O22 3_564 2.637(4) yes
  Ag1 O11 27_445 3.091(2) yes
  Ag1 O11 32 3.091(2) yes
  Ag1 O12 30_456 2.367(5) yes
  Ag1 O12 13_444 2.367(5) yes
  Ag1 O21 22_546 2.469(5) yes
  Ag1 O21 3_665 2.469(5) yes
  Ag1 O23 23_656 2.854(6) yes
  Ag1 O23 2_655 2.854(6) yes
  Ag1 O23 26_455 3.448(5) no
  Ag1 O23 17_444 3.448(5) no
  Ag1 N2 23_656 3.047(6) no
  Ag1 N2 2_655 3.047(6) no
  Ag1 N1 27_445 3.0849(14) no
  Ag1 N1 32 3.0849(14) no
  Ag2 O11 32 2.671(2) yes
  Ag2 O11 27_445 2.671(2) yes
  Ag2 O12 11_444 2.577(5) yes
  Ag2 O12 32 2.577(5) yes
  Ag2 O22 7_444 2.639(4) yes
  Ag2 O22 36_556 2.639(4) yes
  Ag2 O23 17_444 2.677(6) yes
  Ag2 O23 26_455 2.677(6) yes
  Ag2 N1 . 2.973(7) no
  Ag2 N2 26_455 3.020(5) no
  Ag2 N2 17_444 3.020(5) no
  Ag2 O12 13_444 3.243(5) no
  Ag2 O12 30_456 3.243(5) no
  Ag2 N1 32 3.274(4) no
  Ag1 Ag2 . 2.9326(11) yes
  N1 O11 . 1.236(10) yes
  N1 O12 32 1.246(5) yes
  N1 O12 11_444 1.246(5) yes
  N1 Ag1 26 3.0849(14) no
  N1 Ag1 33_545 3.0850(14) no
  N1 Ag2 26 3.274(4) no
  N1 Ag2 33_545 3.275(4) no
  O11 Ag2 26 2.671(2) no
  O11 Ag2 33_545 2.671(2) no
  O11 Ag1 33_545 3.091(2) no
  O11 Ag1 26 3.091(2) no
  O12 N1 33_545 1.246(5) no
  O12 Ag1 7 2.367(5) no
  O12 Ag2 33_545 2.577(5) no
  O12 Ag2 7 3.243(5) no
  N2 O21 2_655 1.269(7) yes
  N2 O22 21_656 1.248(7) yes
  N2 O23 . 1.221(6) yes
  N2 Ag2 27 3.020(5) no
  N2 Ag1 3_665 3.047(6) no
  O21 N2 3_665 1.269(7) no
  O21 Ag1 2_655 2.469(5) no
  O21 Ce 1_655 2.619(5) no
  O22 N2 20_566 1.248(7) no
  O22 Ce 1_666 2.637(4) no
  O22 Ag2 13 2.639(4) no
  O23 Ag2 27 2.677(6) no
  O23 Ag1 3_665 2.854(6) no
  O23 Ag1 27 3.448(5) no