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#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/8101630.cif $
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#
# 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_8101630
_journal_name_full  'Zeitschrift fur Kristallographie - NCS'
_journal_year       1999
_publ_section_title
;
Crystal structure of the tetrahedranides Rb~4~Pb~4~ and Cs~4~Pb~4~
;
loop_
_publ_author_name
  'Baitinger, M.'
  'Peters, K.'
  'Somer, M.'
  'Schnering, H. G. von'
  'Carillo-Cabrera, W.'
  'Grin, Yu.'
  'Kniep, R.'
_chemical_name_common  'Rubidium plumbide'
_chemical_formula_sum  'Rb4 Pb4'
_chemical_formula_weight  9365.12
_symmetry_cell_setting  tetragonal
_symmetry_space_group_name_H-M  'I 41/a c d'
loop_
_symmetry_equiv_pos_as_xyz
  x,y,z  3/4-y,1/4+x,3/4+z  1/2-x,-y,1/2+z  3/4+y,3/4-x,1/4+z  -x,y,1/2+z
  1/4+y,1/4+x,1/4+z 1/2+x,-y,z  1/4-y,3/4-x,3/4+z  -x,-y,-z
  -3/4+y,-1/4-x,-3/4-z -1/2+x,y,-1/2-z  -3/4-y,-3/4+x,-1/4-z  x,-y,-1/2-z
  -1/4-y,-1/4-x,-1/4-z -1/2-x,y,-z  -1/4+y,-3/4+x,-3/4-z  1/2+x,1/2+y,1/2+z
  5/4-y,3/4+x,5/4+z 1-x,1/2-y,1+z  5/4+y,5/4-x,3/4+z  1/2-x,1/2+y,1+z
  3/4+y,3/4+x,3/4+z 1+x,1/2-y,1/2+z  3/4-y,5/4-x,5/4+z  1/2-x,1/2-y,1/2-z
  -1/4+y,1/4-x,-1/4-z x,1/2+y,-z  -1/4-y,-1/4+x,1/4-z  1/2+x,1/2-y,-z
  1/4-y,1/4-x,1/4-z -x,1/2+y,1/2-z  1/4+y,-1/4+x,-1/4-z
_cell_length_a  11.892(1)
_cell_length_b  11.892(1)
_cell_length_c  19.429(2)
_cell_angle_alpha  90
_cell_angle_beta  90
_cell_angle_gamma  90
_cell_volume  2747.6(8)
_cell_formula_units_Z  8
_exptl_crystal_density_diffrn  5.6593(2)
_diffrn_ambient_temperature  295
_diffrn_ambient_environment  air
_refine_ls_R_factor_obs  0.0375
_refine_ls_wR_factor_obs  0.0375
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_thermal_displace_type
_atom_site_U_iso_or_equiv
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_type_symbol
_atom_site_occupancy
Rb1  0.8630(9)  0  0.25  Uani  0.040(3)  16 e Rb  .
Rb2  0.3798(6)  0.6298(6)  0.125  Uani  0.042(2)  16 f Rb  .
Pb  0.0610(2)  0.1352(2)  0.93160(1) Uani  0.0315(7)  32 g Pb  .
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
Rb1  0.038(5)  0.041(5)  0.041(4)  0  0  -0.010(5)
Rb2  0.042(3)  0.042(3)  0.042(4)  0.009(5)  -0.003(3)  0.003(3)
Pb  0.0320(12)  0.0305(12)  0.0320(10)  0.0030(12) -0.0078(11)  0.0087(12)