#------------------------------------------------------------------------------
#$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/90/1519034.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_1519034
loop_
_publ_author_name
'Kohler, J.'
_publ_section_title
;
 Syntheses and structures of novel complex Yb(II) fluorides : YBeF4, YAlF5
 and LiYbAlF6
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              545
_journal_page_last               553
_journal_volume                  1
_journal_year                    1999
_chemical_formula_sum            'Al F6 Li Yb'
_chemical_formula_weight         321.1
_space_group_IT_number           164
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   5.042(2)
_cell_length_b                   5.042(2)
_cell_length_c                   9.868(1)
_cell_volume                     217.25(12)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    21.76
_exptl_crystal_density_diffrn    5.08
_exptl_crystal_F_000             280
_refine_ls_goodness_of_fit_ref   1.312
_refine_ls_number_parameters     18
_refine_ls_number_reflns         199
_refine_ls_R_factor_gt           0.0220
_refine_ls_wR_factor_gt          0.0601
_cod_data_source_file            SSS-1999-1-545-553-3.cif
_cod_data_source_block           LiYbAlF6
_cod_depositor_comments
;
Something wrong there : as described in the paper,
the formula is not LiYbAlF6 but Li2YbAl2F12.
All three structures in the paper have something 
seriously wrong.
;
_cod_original_cell_volume        20
_cod_database_code               1519034
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -y,x-y,z
3 -x+y,-x,z
4 y,x,-z
5 -x,-x+y,-z
6 x-y,-y,-z
7 -x,-y,-z
8 y,-x+y,-z
9 x-y,x,-z
10 -y,-x,z
11 x,x-y,z
12 -x+y,y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Li Li 0.33333 0.66667 0.25 0.020(4)
Yb Yb 0 0 0 0.0097(3)
Al Al 0.66667 0.33333 0.25 0.0080(6)
F F 0.6497(9) 0.0313(4) 0.3545(4) 0.0145(5)
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Al Al 0.0645 0.0514 ' International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 ' International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Li Li -0.0003 0.0001 ' International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Yb Yb -0.3850 5.5486 ' International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
