#------------------------------------------------------------------------------
#$Date: 2010-01-30 14:59:17 +0100 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/2/2012917.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_2012917
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2002
_journal_volume  58
_journal_page_first  i111
_journal_page_last  i113
_publ_section_title
;
KVTeO~5~ and redetermination of the Na homologue
;
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_[local]_cod_cif_authors_sg_H-M  'P 21/c'
loop_
_publ_author_name
  'Rozier, Patrick'
  'Vendier, Laure'
  'Galy, Jean'
_chemical_formula_sum  'K O5 Te V'
_chemical_formula_structural  'K V Te O5'
_chemical_formula_weight  297.64
_symmetry_cell_setting  'monoclinic'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, y+1/2, -z+1/2'
  '-x, -y, -z'
  'x, -y-1/2, z-1/2'
_cell_length_a  6.3870(3)
_cell_length_b  11.6150(8)
_cell_length_c  6.8840(3)
_cell_angle_alpha  90
_cell_angle_beta  105.100(3)
_cell_angle_gamma  90
_cell_volume  493.06(5)
_cell_formula_units_Z  4
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  4.010
_exptl_crystal_density_meas  4.000(10)
_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
  Te 0.75746(3) 0.551830(19) 0.39923(3) 0.01096(8) Uani d . 1 . Te
  V 0.33917(8) 0.37967(5) 0.09575(7) 0.01085(12) Uani d . 1 . V
  K 0.82118(12) 0.18937(7) 0.33511(11) 0.01857(17) Uani d . 1 . K
  O1 0.1900(4) 0.4532(2) -0.1372(3) 0.0142(5) Uani d . 1 . O
  O2 0.5186(4) 0.2930(2) 0.0463(4) 0.0211(6) Uani d . 1 . O
  O3 0.1618(4) 0.3042(2) 0.1764(3) 0.0183(5) Uani d . 1 . O
  O4 0.4607(4) 0.4850(2) 0.2839(3) 0.0154(5) Uani d . 1 . O
  O5 0.8792(3) 0.4093(2) 0.4900(3) 0.0141(5) 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
  Te 0.01030(12) 0.01243(13) 0.00965(12) 0.00054(7) 0.00169(8) 0.00056(7)
  V 0.0099(2) 0.0130(3) 0.0095(2) -0.00094(19) 0.00219(19) 0.0002(2)
  K 0.0145(3) 0.0225(4) 0.0173(3) 0.0026(3) 0.0019(3) -0.0039(3)
  O1 0.0144(11) 0.0185(13) 0.0097(9) 0.0023(9) 0.0032(8) 0.0029(9)
  O2 0.0190(11) 0.0249(16) 0.0189(12) 0.0071(11) 0.0043(9) -0.0005(10)
  O3 0.0157(10) 0.0243(15) 0.0142(11) -0.0041(10) 0.0023(9) 0.0032(10)
  O4 0.0132(11) 0.0170(13) 0.0146(10) -0.0012(10) 0.0009(9) -0.0039(9)
  O5 0.0114(10) 0.0133(12) 0.0163(10) 0.0020(9) 0.0013(8) 0.0033(9)
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
  Te O5 . 1.866(2) yes
  Te O1 3_665 1.920(2) yes
  Te O4 . 2.010(2) yes
  Te O5 3_766 2.291(2) yes
  Te K 2_755 3.8287(8) ?
  Te K 2_655 3.9632(8) ?
  Te K 4_566 4.0474(8) ?
  Te K 3_766 4.1302(8) ?
  V O2 . 1.627(3) yes
  V O3 . 1.640(2) yes
  V O4 . 1.803(2) yes
  V O1 . 1.847(2) yes
  V K 4_465 3.4227(18) ?
  V K . 3.7994(19) ?
  V K 2_655 3.8038(11) ?
  V K 4_565 4.0272(9) ?
  K O2 . 2.671(2) yes
  K O2 4_566 2.712(3) yes
  K O5 4_565 2.748(2) yes
  K O5 . 2.756(3) yes
  K O3 4_666 2.756(2) yes
  K O1 4_666 2.844(3) yes
  K O4 2_645 2.963(3) yes
  K O3 1_655 2.990(2) yes
  K V 4_666 3.4227(8) ?
  K K 4_565 3.7190(7) ?
  K K 4_566 3.7191(7) ?
  O1 Te 3_665 1.920(2) ?
  O1 K 4_465 2.845(3) ?
  O2 K 4_565 2.712(3) ?
  O3 K 4_465 2.756(2) ?
  O3 K 1_455 2.990(2) ?
  O4 K 2_655 2.963(3) ?
  O5 Te 3_766 2.291(2) ?
  O5 K 4_566 2.748(2) ?
_cod_database_code 2012917