data_global
_amcsd_formula_title 'Cs F13 Yb4'
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 1008347
;
_database_code_amcsd 0016258
_chemical_formula_sum 'Yb3 Cs.75 F9.75'
_cell_length_a 7.999
_cell_length_b 7.999
_cell_length_c 17.096
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 947.320
_exptl_crystal_density_diffrn      5.638
_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
_atom_site_occupancy
Yb1   0.51160  -0.51160   0.00230   1.00000
Yb2   0.50610  -0.50610   0.25280   1.00000
Cs1   0.00000   0.00000   0.37250   0.75000
Cs2   0.00000   0.00000   0.13080   0.75000
F1   0.49900  -0.49900   0.37950   1.00000
F2   0.51750  -0.51750   0.12460   1.00000
F3   0.21680  -0.21680   0.00100   1.00000
F4   0.16460  -0.16460   0.49750   1.00000
F5   0.83160  -0.83160   0.24490   1.00000
F6   0.21610  -0.21610   0.24440   1.00000
F7   0.33333   0.66667   0.47280   1.00000
F8   0.33333   0.66667   0.78280   0.50000
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 0.00520 0.00520 0.00970 0.00310 0.00100 -0.00100
Yb2 0.00900 0.00900 0.00360 0.00490 0.00020 -0.00020
Cs1 0.02280 0.02280 0.00640 0.01140 0.00000 0.00000
Cs2 0.02030 0.02030 0.00010 0.01020 0.00000 0.00000
F1 0.05830 0.05830 0.00730 0.04000 0.00530 -0.00530
F2 0.05280 0.05280 0.00500 0.02640 -0.00340 0.00340
F3 0.00620 0.00620 0.04980 0.00190 -0.00230 0.00230
F4 0.00520 0.00520 0.05970 0.00410 -0.00430 0.00430
F5 0.01860 0.01860 0.02940 0.00730 0.00210 -0.00210
F6 0.03350 0.03350 0.06560 0.02850 0.00560 -0.00560
F7 0.00100 0.00100 0.08210 0.00050 0.00000 0.00000
F8 0.03120 0.03120 0.00010 0.01650 0.00000 0.00000