data_global
_amcsd_formula_title 'Fe1.78 Ge2.11 Mg0.11 O9 Pb2'
loop_
_publ_author_name
'Barbier J'
'Levy D'
_journal_name_full 'Acta Crystallographica, Section C'
_journal_volume 54 
_journal_year 1998
_journal_page_first 2
_journal_page_last 5
_publ_section_title
;
 Pb2 Fe2 Ge2 O9, the germanate analogue of the silicate mineral melanotekite
 _cod_database_code 1008828
;
_database_code_amcsd 0016697
_chemical_formula_sum 'Pb2 Ge2.107 Fe1.786 Mg.107 O9'
_cell_length_a 7.1486
_cell_length_b 11.163
_cell_length_c 10.145
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 809.569
_exptl_crystal_density_diffrn      6.676
_symmetry_space_group_name_H-M 'P b c n'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,-z'
  '1/2+x,1/2+y,1/2-z'
  '1/2-x,1/2-y,1/2+z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Pb1   0.94026   0.19986   0.04620   0.91000
Pb2   0.00510   0.20120   0.04450   0.09000
Ge1   0.21729  -0.08545   0.24996   1.00000
Fe1   0.00000   0.50000   0.00000   0.89300
Ge2   0.00000   0.50000   0.00000   0.10700
Fe2   0.00000  -0.34909   0.25000   0.89300
Mg1   0.00000  -0.34909   0.25000   0.10700
O1   0.35030   0.01490   0.16150   1.00000
O2   0.31210  -0.11320   0.40490   1.00000
O3   0.17910  -0.22320   0.17250   1.00000
O4   0.00000  -0.01090   0.25000   1.00000
O5   0.11910   0.35610  -0.07430   1.00000
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
Pb1 0.01686 0.01011 0.00963 0.00126 -0.00156 0.00081
Pb2 0.12800 0.01960 0.01350 -0.02900 0.01100 -0.00040
Ge1 0.00710 0.00650 0.00660 -0.00105 0.00005 0.00030
Fe1 0.00990 0.00670 0.00600 0.00010 -0.00080 -0.00050
Ge2 0.00990 0.00670 0.00600 0.00010 -0.00080 -0.00050
Fe2 0.00920 0.00650 0.00550 0.00000 0.00020 0.00000
Mg1 0.00920 0.00650 0.00550 0.00000 0.00020 0.00000
O1 0.01150 0.00880 0.00940 -0.00300 0.00290 -0.00040
O2 0.02060 0.01040 0.00840 -0.00350 -0.00510 0.00170
O3 0.01640 0.00740 0.00960 -0.00320 0.00190 -0.00100
O4 0.00800 0.00990 0.03900 0.00000 0.00100 0.00000
O5 0.00970 0.01210 0.00930 0.00080 -0.00040 0.00110