#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/4/4300965.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_4300965
_journal_name_full  'Inorganic Chemistry'
_journal_year      2005
_chemical_formula_sum  'Nb14 Si1 O42 (Na/H2O)16'
_chemical_formula_weight  2338.8
_cell_length_a  14.2649(4)
_cell_length_b  14.2649(4)
_cell_length_c  11.3575(5)
_cell_angle_alpha  90.000
_cell_angle_beta  90.000
_cell_angle_gamma  90.000
_cell_volume  2311.1(1)
_symmetry_int_tables_number  119
_symmetry_space_group_name_H-M  'I -4 m 2'
_symmetry_space_group_name_Hall  'I_-4_-2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_attached_hydrogens
_atom_site_calc_flag
_atom_site_thermal_displace_type
_atom_site_u_iso_or_equiv
NB1 Nb  0.8694  0.1343  0.2126  1.000 16 j ? d Uiso  0.05450
NB2 Nb  0.0000  0.2562  1.0011  1.000 8 i ? d Uiso  0.05450
NB3 Nb  0.0000  0.0000  0.3681  1.000 4 e ? d Uiso  0.05450
SI Si  0.0000  0.0000  0.0000  1.000 2 a ? d Uiso  0.05450
O1 O  0.0000  0.3820  0.0119  1.000 8 i ? d Uiso  0.04163
O2 O  0.8261  0.2029  0.3292  1.000 16 j ? d Uiso  0.04163
O3 O  0.0000  0.1204  0.2706  1.000 8 i ? d Uiso  0.04163
O4 O  0.0000  0.8915  0.7492  1.000 8 i ? d Uiso  0.04163
O5 O  0.7574  0.0823  0.1361  1.000 16 j ? d Uiso  0.04163
O6 O  0.2239  0.8821  0.9171  1.000 16 j ? d Uiso  0.04163
O7 O  0.0974  0.0000  0.0813  1.000 8 i ? d Uiso  0.04163
O8 O  0.0818  0.0000  0.5000  0.500 8 i ? d Uiso  0.04163
Sit1 Ne  0.7461  0.2539  0.0000  1.000 8 g ? d Uiso  0.01910
Sit2 Ne  0.3986  0.1014  0.2500  1.000 8 h ? d Uiso  0.01910
Sit3 Ne  0.2641  0.0000  0.4679  1.000 8 i ? d Uiso  0.01910
Sit4 Ne  0.0930  0.5000  0.1491  1.000 8 i ? d Uiso  0.01910