#------------------------------------------------------------------------------
#$Date: 2010-06-10 19:37:11 +0300 (Thu, 10 Jun 2010) $
#$Revision: 1212 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2013916.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_2013916
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2004
_journal_volume  60
_journal_page_first  i37
_journal_page_last  i39
_publ_section_title
;
Tetragonal CeNbO~4~ at 1073 K in air and in vacuum
;
_space_group_IT_number           88
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_[local]_cod_cif_authors_sg_H-M  'I 41/a'
_[local]_cod_cif_authors_sg_Hall '-I 4a'
loop_
_publ_author_name
  'Skinner, Stephen J.'
  'Brooks, Ian J. E.'
  'Munnings, Christopher N.'
_chemical_name_common  'cerium niobate'
_chemical_formula_moiety  'Ce Nb O4'
_chemical_formula_sum  'Ce Nb O4'
_chemical_formula_structural  'Ce Nb O4'
_chemical_formula_iupac  'Ce Nb O4'
_chemical_formula_weight  297.024
_symmetry_cell_setting  tetragonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y+3/4,x+1/4,z+1/4'
  '-x+1/2,-y,z+1/2'
  'y+3/4,-x+3/4,z+3/4'
  '-x,-y,-z'
  'y+1/4,-x+3/4,-z+3/4'
  'x+1/2,y,-z+1/2'
  '-y+1/4,x+1/4,-z+1/4'
  'x+1/2,y+1/2,z+1/2'
  '-y+1/4,x+3/4,z+3/4'
  '-x,-y+1/2,z'
  'y+1/4,-x+1/4,z+1/4'
  '-x+1/2,-y+1/2,-z+1/2'
  'y+3/4,-x+1/4,-z+1/4'
  'x,y+1/2,-z'
  '-y+3/4,x+3/4,-z+3/4'
_cell_length_a  5.37119(8)
_cell_length_b  5.37119
_cell_length_c  11.58104(18)
_cell_angle_alpha  90.0
_cell_angle_beta  90.0
_cell_angle_gamma  90.0
_cell_volume  334.109(9)
_cell_formula_units_Z  4
_cell_measurement_temperature  1073
_exptl_crystal_density_diffrn  5.905
_diffrn_ambient_temperature  1073
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_occupancy
_atom_site_type_symbol
  Ce 0.0 0.25 0.625 0.0173(5) Uani 1.000 Ce
  Nb 0.0 0.25 0.125 0.0174(4) Uani 1.000 Nb
  O 0.16181(9) 0.49329(12) 0.21018(5) 0.0304(3) Uani 1.000(2)  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 0.0195(4) 0.0195(4) 0.0130(6) 0 0 0
  Nb 0.0140(3) 0.0140(3) 0.0241(5) 0 0 0
  O 0.0326(3) 0.0326(3) 0.0257(3) -0.0142(4) 0.0075(3) -0.0108(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 Ce 5_556 3.94904(4) no
  Ce O 5_566 2.5100(6) yes
  Ce O 3_565 2.4847(6) yes
  Nb O . 1.8537(5) yes
_cod_database_code 2013916
_amcsd_database_code             AMCSD#0010007