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#$Date: 2014-02-26 10:53:56 +0000 (Wed, 26 Feb 2014) $
#$Revision: 103179 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/09/8100909.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_8100909
loop_
_publ_author_name
'Gesing, Thorsten M.'
'R\"uscher, Claus H.'
'Hussain, Altaf'
_publ_section_title
;
Crystal structure of rubidium niobium tungsten bronzes, Rb~x~Nb~y~W~1--y~O~3~ 
(x ≈ 0.3; y = 0.13, 0.19)
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              37
_journal_page_last               38
_journal_volume                  216
_journal_year                    2001
_chemical_formula_analytical     Rb0.3Nb0.2W0.8O3
_chemical_formula_structural     Rb0.3Nb0.2W0.8O3
_chemical_formula_sum            'Nb0.19 O3 Rb0.3 W0.81'
_chemical_formula_weight         239.303
_chemical_formula_weight_meas    239.133
_symmetry_Int_Tables_number      193
_symmetry_space_group_name_Hall  -P_6c_2
_symmetry_space_group_name_H-M   'P 63/m c m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_formula_units_Z            6
_cell_length_a                   7.3887(16)
_cell_length_b                   7.3887(16)
_cell_length_c                   7.5615(12)
_cell_volume                     357.5(1)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_meas      6.689
_refine_ls_R_factor_obs          0.017
_[local]_cod_chemical_formula_sum_orig 'Rb0.30 Nb0.19 W0.81 O3'
_cod_database_code               8100909
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
Rb Rb 0.0000 0.0000 0.0000 0.89(4) 2 b ? d Uiso 1.3(7)
Nb Nb 0.4800(9) 0.0000 0.2500 0.19(3) 6 g ? d Uiso 0.16(9)
W W 0.4800(9) 0.0000 0.2500 0.81(3) 6 g ? d Uiso 0.16(9)
O1 O 0.5000 0.0000 0.0000 1.0000 6 f ? d Uiso 1.9(3)
O2 O 0.3765(42) 0.1608(51) 0.2500 1.0000 12 j ? d Uiso 1.9(3)