#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/00/1000082.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_1000082
loop_
_publ_author_name
'Le Bail, A'
'Gao, Y'
'Jacoboni, C'
_publ_section_title
;
Crystal structure of Rb₂NaAl₆F₂₁; a new term of the
A₂Na(AlₓF₃ₓ₊₁)₃ family (A= Rb, Cs)
;
_journal_coden_ASTM              EJSCE5
_journal_name_full
;
European Journal of Solid State Inorganic Chemistry
;
_journal_page_first              281
_journal_page_last               288
_journal_volume                  26
_journal_year                    1989
_chemical_formula_structural     'Rb2 Na Al6 F21'
_chemical_formula_sum            'Al6 F21 Na Rb2'
_chemical_name_systematic        'Dirubidium sodium hexaaluminium fluoride'
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      5
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 113.20(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.075(6)
_cell_length_b                   6.972(3)
_cell_length_c                   10.214(5)
_cell_volume                     790.4
_refine_ls_R_factor_all          0.04
_cod_database_code               1000082
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
1/2+x,1/2+y,z
1/2-x,1/2+y,-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Rb1 Rb1+ 4 c 0.1343(2) 0. 0.4048(1) 1. 0 d
Na1 Na1+ 2 b 0. 0.4844(5) 0.5 1. 0 d
Al1 Al3+ 4 c 0.5644(4) -0.0232(5) 0.1916(4) 1. 0 d
Al2 Al3+ 4 c 0.3138(4) 0.2287(6) 0.1915(3) 1. 0 d
Al3 Al3+ 4 c -0.3137(4) 0.7279(5) -0.1894(3) 1. 0 d
F1 F1- 2 a 0. 0.4923(14) 0. 1. 0 d
F2 F1- 4 c 0.2677(5) 0.2266(7) -0.0006(4) 1. 0 d
F3 F1- 4 c 0.2707(5) -0.0211(9) 0.1858(5) 1. 0 d
F4 F1- 4 c 0.4624(8) 0.1622(9) 0.2056(5) 1. 0 d
F5 F1- 4 c -0.4511(9) 0.7958(10) -0.1671(4) 1. 0 d
F6 F1- 4 c 0.1464(5) -0.0230(9) 0.8116(5) 1. 0 d
F7 F1- 4 c 0.1622(8) 0.2943(9) 0.1697(4) 1. 0 d
F8 F1- 4 c -0.1747(9) 0.6631(9) -0.2049(5) 1. 0 d
F9 F1- 4 c 0.3674(8) 0.2302(11) 0.3780(5) 1. 0 d
F10 F1- 4 c -0.3828(9) 0.7389(11) -0.3742(5) 1. 0 d
F11 F1- 4 c 0.3774(6) -0.0590(8) 0.6259(6) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Rb1+ 1.000
Na1+ 1.000
Al3+ 3.000
F1- -1.000
