#------------------------------------------------------------------------------
#$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/2/2200091.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_2200091
_journal_name_full  'Acta Crystallographica, Section E'
_journal_year  2001
_journal_volume  57
_journal_page_first  i22
_journal_page_last  i23
_publ_section_title
;
Cadmium(II) metaarsenate(V), CdAs~2~O~6~
;
_space_group_IT_number           162
_symmetry_space_group_name_Hall  '-P 3 2'
_symmetry_space_group_name_H-M   'P -3 1 m'
_[local]_cod_cif_authors_sg_H-M  'P -3 1 M'
loop_
_publ_author_name
  'Matthias Weil'
_chemical_formula_moiety  'As2 Cd O6'
_chemical_formula_sum  'As2 Cd O6'
_chemical_formula_iupac  'As2 Cd O6'
_chemical_formula_weight  358.24
_symmetry_cell_setting  'trigonal'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-y, x-y, z'
  '-x+y, -x, z'
  'y, x, z'
  'x-y, -y, z'
  '-x, -x+y, z'
  '-x, -y, -z'
  'y, -x+y, -z'
  'x-y, x, -z'
  '-y, -x, -z'
  '-x+y, y, -z'
  'x, x-y, -z'
_cell_length_a  4.8269(10)
_cell_length_b  4.8269(10)
_cell_length_c  4.8660(10)
_cell_angle_alpha  90.00
_cell_angle_beta  90.00
_cell_angle_gamma  120.00
_cell_volume  98.18(4)
_cell_formula_units_Z  1
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  6.059
_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
  Cd1  .0000  .0000  .0000  .00641(13) Uani d S 1 . . Cd
  As1  .3333  .6667  .5000  .00374(13) Uani d S 1 . . As
  O1  .6243(4)  .0000  .2913(3)  .0062(3) 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
  Cd1  .00700(14)  .00700(14)  .00522(16)  .00350(7)  .000  .000
  As1  .00321(14)  .00321(14)  .00480(16)  .00161(7)  .000  .000
  O1  .0067(4)  .0042(5)  .0068(6)  .0021(3)  .0023(4)  .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
  Cd1 O1 9_445 2.3019(17) Y
  Cd1 O1 3_665 2.3019(17) ?
  Cd1 O1 1_455 2.3019(17) ?
  Cd1 O1 2_545 2.3019(17) ?
  Cd1 O1 8_565 2.3019(17) ?
  Cd1 O1 7_655 2.3019(17) ?
  As1 O1 2 1.8256(11) Y
  As1 O1 7_666 1.8256(11) ?
  As1 O1 8_566 1.8256(11) ?
  As1 O1 1_565 1.8256(11) ?
  As1 O1 9_556 1.8256(11) ?
  As1 O1 3_665 1.8256(11) ?
  As1 As1 7_566 2.7868(6) ?
  As1 As1 7_676 2.7868(6) ?
  As1 As1 7_666 2.7868(6) ?
  O1 As1 7_666 1.8256(11) ?
  O1 As1 1_545 1.8256(11) ?
  O1 Cd1 1_655 2.3019(17) ?
_cod_database_code 2200091