data_2002881
_chemical_name_systematic          'Dilead diindium disilicate'
_chemical_formula_structural       'Pb2 In2 Si2 O9'
_chemical_formula_sum              'In2 O9 Pb2 Si2'
_publ_section_title
;
Zur Kenntnis eines synthetischen Kentrolits/Melanotekits des Indiums:
Pb2 In2 Si2 O9
;
loop_
_publ_author_name
  'Werner, J-P'
  'Mueller-Buschbaum, Hk'
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie,
Organische Chemie (42,1987-)
;
_journal_volume                    52
_journal_year                      1997
_journal_page_first                1213
_journal_page_last                 1218
_cell_length_a                     10.529(1)
_cell_length_b                     11.372(1)
_cell_length_c                     7.019(3)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       840.4
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P n a 21'
_symmetry_Int_Tables_number        33
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,1/2+z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Pb2+   2.000
  In3+   3.000
  Si4+   4.000
  O2-   -2.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  Pb1   Pb2+   4 a 0.4551(1) 0.5650(1) 0.2638(1) 1.  0 d
  Pb2   Pb2+   4 a 0.0590(1) 0.5474(1) 0.2498(1) 1.  0 d
  In1   In3+   4 a 0.4993(1) 0.2502(1) 0.2107(1) 1.  0 d
  In2   In3+   4 a 0.2496(1) 0.0885(1) 0.2330(1) 1.  0 d
  Si1   Si4+   4 a 0.2487(1) 0.3396(1) 0.4925(1) 1.  0 d
  Si2   Si4+   4 a 0.2457(1) 0.3315(1) 0.9254(1) 1.  0 d
  O1    O2-    4 a 0.0650(2) 0.0957(2) 0.3396(4) 1.  0 d
  O2    O2-    4 a 0.3296(2) 0.2416(2) 0.3818(4) 1.  0 d
  O3    O2-    4 a 0.4319(2) 0.0880(2) 0.1108(3) 1.  0 d
  O4    O2-    4 a 0.3262(2) 0.4624(2) 0.5135(4) 1.  0 d
  O5    O2-    4 a 0.1717(2) 0.2289(2) 0.0426(3) 1.  0 d
  O6    O2-    4 a 0.2230(3) 0.2847(2) 0.7069(4) 1.  0 d
  O7    O2-    4 a 0.1159(2) 0.3671(2) 0.3899(4) 1.  0 d
  O8    O2-    4 a 0.3946(2) 0.3383(3) 0.9751(5) 1.  0 d
  O9    O2-    4 a 0.1719(2) 0.4603(2) 0.9402(5) 1.  0 d
_refine_ls_R_factor_all            0.095