#------------------------------------------------------------------------------
#$Date: 2009-11-16 02:43:51 +0100 (Mon, 16 Nov 2009) $
#$Revision: 853 $
#$URL: svn://www.crystallography.net/cod/cif/2/2009100.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_2009100
_journal_name_full 'Acta Crystallographica Section C'
_journal_year  1999
_journal_volume 55
_journal_page_first  1743
_journal_page_last  1746
_publ_section_title
;
Cadmium sodium trivanadate
;
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_[local]_cod_cif_authors_sg_H-M  'C 2/c'
loop_
_publ_author_name
  'Lahcen El Ammari'
  'Mohamed Azrour'
  'Wulf Depmeier'
  'K.-F. Hesse'
  'Brahim Elouadi'
_chemical_formula_moiety  'Cd3.23 Na1.41 V0.36 (V O4)3 '
_chemical_formula_sum  'Cd3.23 Na1.41 O12 V3.36'
_chemical_formula_weight  758.69
_symmetry_cell_setting  'Monoclinic'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  'x, -y, z+1/2'
  'x+1/2, y+1/2, z'
  'x+1/2, -y+1/2, z+1/2'
  '-x, -y, -z'
  '-x, y, -z-1/2'
  '-x+1/2, -y+1/2, -z'
  '-x+1/2, y+1/2, -z-1/2'
_cell_length_a  12.564(4)
_cell_length_b  13.452(4)
_cell_length_c  7.021(2)
_cell_angle_alpha  90.00
_cell_angle_beta  113.74(3)
_cell_angle_gamma  90.00
_cell_volume  1086.2(6)
_cell_formula_units_Z  4
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  4.639
_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_thermal_displace_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_group
_atom_site_type_symbol
  Cd1  .0000  .5000  .5000  .0421(3) Uani d SP  .550(3) . Cd
  Na1  .0000  .5000  .5000  .0421(3) Uani d SP  .450(3) . Na
  Cd2  .0000  .9859(3)  .7500  .0548(13) Uani d SP  .041(4) . Cd
  Na2  .0000  .9859(3)  .7500  .0548(13) Uani d SP  .959(4) . Na
  Cd3  .71699(3)  .65529(2)  .63663(4)  .01820(12) Uani d P  .819(3) . Cd
  V3  .71699(3)  .65529(2)  .63663(4)  .01820(12) Uani d P  .181(4) . V
  Cd4  .0000  .27268(3)  .7500  .01838(12) Uani d S 1 . Cd
  V1  .72895(5)  .60904(5)  .12732(9)  .01706(15) Uani d . 1 . V
  V2  .0000  .70621(6)  .7500  .0198(2) Uani d S 1 . V
  O1  .6547(3)  .5000(2)  .1060(5)  .0287(6) Uani d . 1 . O
  O2  .6600(3)  .6694(2)  -.1066(5)  .0262(6) Uani d . 1 . O
  O3  .7170(3)  .6784(2)  .3205(5)  .0324(7) Uani d . 1 . O
  O4  .8757(2)  .5906(2)  .1883(6)  .0347(8) Uani d . 1 . O
  O5  -.0422(3)  .7771(2)  .5282(5)  .0257(6) Uani d . 1 . O
  O6  -.1014(3)  .6237(2)  .7610(6)  .0423(9) 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
  Cd1  .0641(6)  .0153(3)  .0198(4)  .0009(3)  -.0114(4)  -.0004(2)
  Na1  .0641(6)  .0153(3)  .0198(4)  .0009(3)  -.0114(4)  -.0004(2)
  Cd2  .0205(12)  .123(3)  .0182(14)  .000  .0053(10)  .000
  Na2  .0205(12)  .123(3)  .0182(14)  .000  .0053(10)  .000
  Cd3  .0218(2)  .0187(2)  .0140(2)  -.00348(10)  .00712(12)  .00134(10)
  V3  .0218(2)  .0187(2)  .0140(2)  -.00348(10)  .00712(12)  .00134(10)
  Cd4  .0161(2)  .0152(2)  .0238(2)  .000  .0080(2)  .000
  V1  .0144(3)  .0191(3)  .0139(3)  -.0019(2)  .0018(2)  .0040(2)
  V2  .0259(4)  .0143(4)  .0136(4)  .000  .0020(4)  .000
  O1  .0231(14)  .0295(13)  .031(2)  -.0040(11)  .0085(13)  .0071(12)
  O2  .0280(14)  .0279(14)  .0188(14)  .0092(11)  .0053(12)  .0061(10)
  O3  .036(2)  .039(2)  .017(2)  -.0027(13)  .0049(14)  .0004(12)
  O4  .0179(13)  .0188(12)  .061(2)  -.0009(10)  .0090(14)  .0113(13)
  O5  .0222(13)  .0340(15)  .0172(14)  -.0016(11)  .0041(11)  .0047(12)
  O6  .044(2)  .0260(15)  .044(2)  -.0129(14)  .004(2)  .0128(14)
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
  M1 O6 2_564 2.342(3) yes
  M1 O6 6_557 2.342(3) yes
  M1 O4 5_666 2.442(3) yes
  M1 O4 1_455 2.442(3) yes
  M1 O4 2_465 2.709(4) yes
  M1 O4 6_656 2.709(4) yes
  M1 O6 . 3.103(4) no
  M1 O6 5_566 3.103(4) no
  M2 O1 8_556 2.480(3) yes
  M2 O1 3_456 2.480(3) yes
  M2 O1 7_566 2.534(3) yes
  M2 O1 4_465 2.534(3) yes
  M2 O2 3_456 3.085(4) yes
  M2 O2 8_556 3.085(4) yes
  M2 O5 . 3.152(5) yes
  M2 O5 6_557 3.152(5) yes
  M3 O6 1_655 2.132(4) yes
  M3 O2 1_556 2.200(3) yes
  M3 O1 2_565 2.211(3) yes
  M3 O5 7_566 2.223(3) yes
  M3 O3 . 2.241(3) yes
  M3 O3 7_666 2.363(3) yes
  M4 O2 8_546 2.314(3) yes
  M4 O2 3_446 2.314(3) yes
  M4 O5 2_565 2.319(3) yes
  M4 O5 5_566 2.319(3) yes
  M4 O4 5_666 2.338(3) yes
  M4 O4 2_465 2.338(3) yes
  V1 O3 . 1.702(3) yes
  V1 O1 . 1.712(3) yes
  V1 O2 . 1.721(3) yes
  V1 O4 . 1.734(3) yes
  V2 O6 . 1.715(3) yes
  V2 O6 6_557 1.715(3) yes
  V2 O5 6_557 1.717(3) yes
  V2 O5 . 1.717(3) yes
  V2 O3 4_465 3.000(4) no
  V2 O3 7_566 3.000(3) no