data_global
_amcsd_formula_title 'Cs F10 Yb3'
loop_
_publ_author_name
'Aleonard S'
'Lambert B'
'Pannetier J'
'Gorius M'
'Roux M'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 58 
_journal_year 1985
_journal_page_first 226
_journal_page_last 232
_publ_section_title
;
 Etude par diffraction neutronique de la phase Cs4-x Yb12 F40-x
 (0<= X <=1): Hypothese Structurale.
 _cod_database_code 1008349
;
_database_code_amcsd 0016260
_chemical_formula_sum 'Yb3 Cs F10'
_cell_length_a 7.999
_cell_length_b 7.999
_cell_length_c 17.078
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 946.322
_exptl_crystal_density_diffrn      5.910
_symmetry_space_group_name_H-M 'P 63 m c'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-x+y,1/2+z'
  'x-y,x,1/2+z'
  '-y,-x,z'
  '-y,x-y,z'
  'x-y,-y,1/2+z'
  '-x,-y,1/2+z'
  'x,x-y,z'
  '-x+y,-x,z'
  'y,x,1/2+z'
  'y,-x+y,1/2+z'
  '-x+y,y,z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Yb1   0.51170  -0.51170   0.00250
Yb2   0.50550  -0.50550   0.25230
Cs1   0.00000   0.00000   0.36680
Cs2   0.00000   0.00000   0.13200
F1   0.50060  -0.50060   0.37690
F2   0.51850  -0.51850   0.12570
F3   0.21330  -0.21330   0.00110
F4   0.16450  -0.16450   0.49880
F5   0.83030  -0.83030   0.24490
F6   0.22140  -0.22140   0.24590
F7   0.33333   0.66667   0.47960
F8   0.33333   0.66667   0.78580
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Yb1 0.00670 0.00670 0.00850 0.00560 0.00210 -0.00210
Yb2 0.00700 0.00700 0.00340 0.00260 0.00050 -0.00050
Cs1 0.04180 0.04180 0.00660 0.02090 0.00000 0.00000
Cs2 0.02980 0.02980 0.00010 0.01490 0.00000 0.00000
F1 0.05870 0.05870 0.00590 0.03990 0.00520 -0.00520
F2 0.05580 0.05580 0.00420 0.02850 -0.00580 0.00580
F3 0.00360 0.00360 0.04680 -0.00340 0.00080 -0.00080
F4 0.01400 0.01400 0.04410 0.00760 -0.00980 0.00980
F5 0.00680 0.00680 0.04980 0.00190 -0.00030 0.00030
F6 0.02260 0.02260 0.06900 0.01470 0.00120 -0.00120
F7 0.00100 0.00100 0.08210 0.00050 0.00000 0.00000
F8 0.03120 0.03120 0.00010 0.01560 0.00000 0.00000