#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/2/2013037.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_2013037
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2002
_journal_volume  58
_journal_page_first  i159
_journal_page_last  i160
_publ_section_title
;
LiNa~2~AlF~6~: a powder structure solution
;
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_[local]_cod_cif_authors_sg_H-M  'P 21/n'
loop_
_publ_author_name
  'Kirik, Sergei D.'
  'Zaitseva, Julia N.'
  'Yakimov, Igor S.'
  'Golovnev, Nikolay N.'
_chemical_name_common  'lithium sodium aluminium fluoride'
_chemical_formula_moiety  'Al F6 Li Na2'
_chemical_formula_sum  'Al F6 Li Na2'
_chemical_formula_structural  'Al F6 Li Na2'
_chemical_formula_analytical  'Al F6 Li Na2'
_chemical_formula_iupac  'Li Na2 Al F6'
_chemical_formula_weight  193.892
_chemical_melting_point  'decomp. 1053 K'
_symmetry_cell_setting  monoclinic
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
  1 x,y,z
  2 -x,-y,-z
  3 1/2-x,y+1/2,1/2-z
  4 1/2+x,1/2-y,1/2+z
_cell_length_a  5.2863(4)
_cell_length_b  5.3603(4)
_cell_length_c  7.5025(6)
_cell_angle_alpha  90
_cell_angle_beta  90.005(2)
_cell_angle_gamma  90
_cell_volume  212.59
_cell_formula_units_Z  2
_cell_measurement_temperature  293
_diffrn_ambient_temperature  295.0(10)
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_u_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_occupancy
_atom_site_type_symbol
  Al 0.0000 0.0000 0.0000 0.0087(6) Uiso 1.00 Al
  Li 0.0000 0.0000 0.5000 0.014(2) Uiso 1.00 Li
  Na -0.0078(7) 0.4658(3) 0.2506(6) 0.022(6) Uiso 1.00 Na
  F1 0.0733(6) 0.0191(4) 0.2328(9) 0.0170(10)
  Uiso 1.00 F
  F2 0.2232(7) 0.3092(7) 0.5341(9) 0.0150(10)
  Uiso 1.00 F
  F3 0.1941(6) 0.2730(6) 0.9632(7) 0.0140(10)
  Uiso 1.00 F
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  Li F3 . 3_546 2.042(3) yes
  Na F3 . 2_566 2.346(6) yes
  Al F2 . 3_545 1.803(4) yes
  Na F3 1_556 . 2.618(6) yes
  Al F3 . 1_554 1.808(3) yes
  Li F1 . . 2.044(7) yes
  Al F1 . . 1.792(7) yes
  Li F2 . 2_556 2.051(4) yes
  Na F1 . 3_555 2.318(5) yes
  Na F2 . . 2.592(7) yes
  Na F1 . . 2.436(3) yes
  Na F2 2_566 . 2.315(7) yes
  Na F2 . 4_454 2.614(6) yes
  Na F3 4_555 . 2.582(6) yes
_cod_database_code 2013037
