data_2012918
_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
;
loop_
_publ_author_name
  'Rozier, Patrick'
  'Vendier, Laure'
  'Galy, Jean'
_chemical_formula_sum  'Na O5 Te V'
_chemical_formula_structural  'Na V Te O5'
_chemical_formula_weight  281.53
_symmetry_cell_setting  'monoclinic'
_symmetry_space_group_name_H-M  'P 21/c'
_symmetry_space_group_name_Hall  '-P 2ybc'
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  5.8840(2)
_cell_length_b  11.3760(3)
_cell_length_c  6.8190(2)
_cell_angle_alpha  90
_cell_angle_beta  103.0680(17)
_cell_angle_gamma  90
_cell_volume  444.62(2)
_cell_formula_units_Z  4
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  4.206
_exptl_crystal_density_meas  4.200(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 0.75799(3) 0.559218(16) 0.40375(3) 0.00835(10) Uani d . 1 . Te
  V 0.32680(9) 0.37936(4) 0.08881(7) 0.00832(13) Uani d . 1 . V
  Na 0.8195(2) 0.20668(13) 0.3155(2) 0.0223(3) Uani d . 1 . Na
  O1 0.1655(4) 0.44580(18) -0.1457(3) 0.0126(5) Uani d . 1 . O
  O2 0.5392(4) 0.2979(2) 0.0440(4) 0.0166(5) Uani d . 1 . O
  O3 0.1399(4) 0.2948(2) 0.1701(3) 0.0155(5) Uani d . 1 . O
  O4 0.4374(4) 0.4882(2) 0.2754(3) 0.0134(4) Uani d . 1 . O
  O5 0.8750(4) 0.40734(19) 0.4818(3) 0.0116(4) 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 0.00878(14) 0.00925(14) 0.00638(13) 0.00040(6) 0.00037(8) 0.00001(6)
  V 0.0086(2) 0.0093(2) 0.0065(2) -0.00068(18) 0.00040(18) -0.00037(18)
  Na 0.0153(6) 0.0293(8) 0.0217(7) 0.0030(6) 0.0028(5) 0.0020(6)
  O1 0.0140(11) 0.0156(11) 0.0080(10) 0.0023(8) 0.0019(9) 0.0014(8)
  O2 0.0147(11) 0.0178(11) 0.0172(12) 0.0035(9) 0.0035(9) -0.0014(9)
  O3 0.0169(11) 0.0138(11) 0.0162(11) -0.0021(9) 0.0050(9) 0.0032(9)
  O4 0.0096(10) 0.0166(11) 0.0130(11) -0.0024(9) 0.0002(8) -0.0032(9)
  O5 0.0099(10) 0.0103(10) 0.0129(10) -0.0002(8) -0.0008(8) 0.0022(8)
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 . 1.891(2) yes
  Te O1 3_665 1.913(2) yes
  Te O4 . 2.057(2) yes
  Te O5 3_766 2.158(2) yes
  Te Te 3_766 3.1558(4) ?
  Te Na 2_755 3.5931(14) ?
  V O2 . 1.639(2) yes
  V O3 . 1.649(2) yes
  V O4 . 1.789(2) yes
  V O1 . 1.828(2) yes
  V Na 4_465 3.2901(15) ?
  V Na . 3.5535(15) ?
  Na O2 . 2.418(3) yes
  Na O2 4_566 2.512(3) yes
  Na O3 1_655 2.527(3) yes
  Na O5 . 2.537(3) yes
  Na O1 4_666 2.642(3) yes
  Na O5 4_565 2.703(3) yes
  Na O3 4_666 2.709(3) yes
  Na O4 2_645 2.903(3) yes
  Na V 4_666 3.2901(15) ?
  Na Na 4_565 3.5491(18) ?
  Na Na 4_566 3.5491(18) ?
  O1 Te 3_665 1.913(2) ?
  O1 Na 4_465 2.642(3) ?
  O2 Na 4_565 2.512(3) ?
  O3 Na 1_455 2.527(3) ?
  O3 Na 4_465 2.709(3) ?
  O4 Na 2_655 2.902(3) ?
  O5 Te 3_766 2.158(2) ?
  O5 Na 4_566 2.703(3) ?