#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1008068.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_1008068
_chemical_name_systematic
;
Rubidium sodium tetrafluoroberyllate (1.5/.5/1)
;
_chemical_formula_structural       'Rb1.5 Na0.5 Be F4'
_chemical_formula_sum            'Be F4 Na0.5 Rb1.5'
_[local]_cod_chemical_formula_sum_orig 'Be F4 Na.5 Rb1.5'
_publ_section_title
;
Etude des systemes Me(I)~2~ Be F~4~ - Na~2~ Be F~4~
;
loop_
_publ_author_name
  'Pontonnier, L'
  'Caillet, M'
  'Aleonard, S'
_journal_name_full                 'Materials Research Bulletin'
_journal_coden_ASTM                MRBUAC
_journal_volume                    7
_journal_year                      1972
_journal_page_first                799
_journal_page_last                 812
_cell_length_a                     5.805(2)
_cell_length_b                     5.805
_cell_length_c                     7.556
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       220.5
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P -3 m 1'
_symmetry_Int_Tables_number        164
_symmetry_cell_setting             trigonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,z'
  'y-x,-x,z'
  '-y,-x,z'
  'x,x-y,z'
  'y-x,y,z'
  '-x,-y,-z'
  'y,y-x,-z'
  'x-y,x,-z'
  'y,x,-z'
  '-x,y-x,-z'
  'x-y,-y,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Na1+   1.000
  Rb1+   1.000
  Be2+   2.000
  F1-   -1.000
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
  Na1   Na1+   1 a 0. 0. 0. 1.  0 d
  Rb1   Rb1+   1 b 0. 0. 0.5 1.  0 d
  Rb2   Rb1+   2 d 0.3333 0.6667 0.145(1) 1.  0 d
  Be1   Be2+   2 d 0.3333 0.6667 0.743(9) 1.  0 d
  F1    F1-    2 d 0.3333 0.6667 0.542(4) 1.  0 d
  F2    F1-    6 i 0.188(2) -0.188 -0.173(4) 1.  0 d
_refine_ls_R_factor_all            0.09
_cod_database_code 1008068