#------------------------------------------------------------------------------
#$Date: 2016-02-18 16:37:37 +0100 (Thu 18 de Feb de 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/04/1000492.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_1000492
loop_
_publ_author_name
'Courbion, G'
'Jacoboni, C'
'de Pape, R'
_publ_section_title              'Structure cristalline de Cs2 Na Al3 F12'
_journal_coden_ASTM              ACBCAR
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              3190
_journal_page_last               3193
_journal_paper_doi               10.1107/S0567740876009928
_journal_volume                  32
_journal_year                    1976
_chemical_formula_structural     'Cs2 Na (Al3 F12)'
_chemical_formula_sum            'Al3 Cs2 F12 Na'
_chemical_name_systematic
;
Dicaesium sodium phyllo-tetrafluoroaluminate
;
_space_group_IT_number           166
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-P 3* 2'
_symmetry_space_group_name_H-M   'R -3 m :R'
_cell_angle_alpha                57.45(1)
_cell_angle_beta                 57.45(1)
_cell_angle_gamma                57.45(1)
_cell_formula_units_Z            1
_cell_length_a                   7.310(3)
_cell_length_b                   7.310(3)
_cell_length_c                   7.310(3)
_cell_volume                     260.0
_exptl_crystal_density_meas      3.7(10)
_refine_ls_R_factor_all          0.028
_cod_original_sg_symbol_H-M      'R -3 m R'
_cod_database_code               1000492
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,x,z
y,z,x
x,z,y
z,x,y
z,y,x
-x,-y,-z
-y,-x,-z
-y,-z,-x
-x,-z,-y
-z,-x,-y
-z,-y,-x
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
Cs1 Cs1+ 2 c 0.37877(6) 0.37877(6) 0.37877(6) 1. 0 d
Na1 Na1+ 1 a 0. 0. 0. 1. 0 d
Al1 Al3+ 3 d 0.5 0. 0. 1. 0 d
F1 F1- 6 h 0.2968(4) 0.2968(4) -0.0768(4) 1. 0 d
F2 F1- 6 h -0.0847(4) -0.0847(4) 0.3828(4) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Cs1+ 1.000
Na1+ 1.000
Al3+ 3.000
F1- -1.000
