#------------------------------------------------------------------------------
#$Date: 2009-11-18 14:56:34 +0000 (Wed, 18 Nov 2009) $
#$Revision: 858 $
#$URL: svn://www.crystallography.net/cod/cif/2/2006975.cif $
#------------------------------------------------------------------------------
#
# 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_2006975
_journal_name_full 'Acta Crystallographica Section C'
_journal_year  1998
_journal_volume 54
_journal_page_first  02
_journal_page_last  05
_publ_section_title
;
Pb~2~Fe~2~Ge~2~O~9~, the Germanate Analogue of the Silicate Mineral
  Melanotekite
;
loop_
_publ_author_name
  'Barbier, Jacques'
  "L\'evy, David"
_chemical_formula_sum            'Fe1.78 Ge2.11 Mg0.11 O9 Pb2'
_[local]_cod_chemical_formula_sum_orig 'Pb2 Fe1.78 Ge2.11 Mg0.11 O9'
_chemical_formula_analytical  'Pb2.01 Fe1.82 Ge2.07 Mg0.11 O8.99'
_chemical_formula_weight  813.67
_symmetry_cell_setting  orthorhombic
_symmetry_space_group_name_H-M  'P b c n'
_symmetry_space_group_name_Hall  '-P 2n 2ab'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x+1/2, -y+1/2, z+1/2'
  '-x, y, -z+1/2'
  'x+1/2, -y+1/2, -z'
  '-x, -y, -z'
  'x-1/2, y-1/2, -z-1/2'
  'x, -y, z-1/2'
  '-x-1/2, y-1/2, z'
_cell_length_a  7.1486(14)
_cell_length_b  11.163(2)
_cell_length_c  10.145(2)
_cell_angle_alpha  90.00
_cell_angle_beta  90.00
_cell_angle_gamma  90.00
_cell_volume  809.6(3)
_cell_formula_units_Z  4
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  6.675
_diffrn_ambient_temperature  293(2)
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_group
_atom_site_type_symbol
  Pb1  .94026(3)  .19986(3)  .04620(3)  .01220(4) Uani d P  .910(10)
  . Pb
  Pb2 1.0051(11)  .2012(4)  .0445(4)  .0536(14) Uani d P  .090(10)
  . Pb
  Ge  .21729(5)  -.08545(3)  .24996(4)  .00676(6) Uani d . 1 . Ge
  M1  .0000  .5000  .0000  .00753(12) Uani d SP  .893(5) . Fe
  M1'  .0000  .5000  .0000  .00753(12) Uani d SP  .107(5) . Ge
  M2  .0000  -.34909(6)  .2500  .0071(2) Uani d SP  .893(5) . Fe
  M2'  .0000  -.34909(6)  .2500  .0071(2) Uani d SP  .107(5) . Mg
  O1  .3503(4)  .0149(2)  .1615(3)  .0099(4) Uani d . 1 . O
  O2  .3121(5)  -.1132(2)  .4049(3)  .0131(5) Uani d . 1 . O
  O3  .1791(4)  -.2232(2)  .1725(3)  .0111(5) Uani d . 1 . O
  O4  .0000  -.0109(3)  .2500  .0191(9) Uani d S 1 . O
  O5  .1191(4)  .3561(2)  -.0743(3)  .0103(4) Uani d . 1 . O
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  .01686(7)  .01011(7)  .00963(6)  .00126(7)  -.00156(7)  .00081(7)
  Pb2  .128(4)  .0196(11)  .0135(10)  -.029(2)  .011(2)  -.0004(9)
  Ge  .00710(10)
  .00650(10)
  .00660(10)
  -.00105(10)  .00005(12)  .00030(10)
  M1  .0099(3)  .0067(2)  .0060(2)  .0001(2)  -.0008(2)  -.0005(2)
  M2  .0092(3)  .0065(3)  .0055(3)  .000  .0002(3)  .000
  O1  .0115(11)  .0088(9)  .0094(10)  -.0030(8)  .0029(9)  -.0004(8)
  O2  .0206(14)  .0104(10)  .0084(10)  -.0035(9)  -.0051(10)  .0017(8)
  O3  .0164(13)  .0074(9)  .0096(10)  -.0032(8)  .0019(10)  -.0010(7)
  O4  .008(2)  .0099(14)  .039(3)  .000  .001(2)  .000
  O5  .0097(11)  .0121(10)  .0093(10)  .0008(9)  -.0004(9)  .0011(8)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  Pb1 O2 6_666 2.333(3) yes
  Pb1 O3 5_655 2.391(3) yes
  Pb1 O5 4 2.396(3) yes
  Pb1 O5 1_655 2.484(3) yes
  Pb1 O4 1_655 3.161(3) yes
  Pb1 O2 7_655 3.171(3) yes
  Pb1 O3 8_765 3.127(3) yes
  Pb1 Pb2 1_555  .464(7) yes
  Pb1 Pb2 4_455 3.427(7) yes
  Pb2 O5 1_655 2.259(5) yes
  Pb2 O2 6_666 2.542(7) yes
  Pb2 O3 5_655 2.577(7) yes
  Pb2 O3 8_765 2.737(8) yes
  Pb2 O4 1_655 3.155(3) yes
  Pb2 O2 7_655 2.791(3) yes
  Pb2 O3 8_765 2.737(3) yes
  Ge O1 . 1.722(3) yes
  Ge O2 . 1.739(3) yes
  Ge O3 . 1.748(3) yes
  Ge O4 . 1.762(2) yes
  M1 O1 8_665 1.964(3) yes
  M1 O1 4_455 1.964(3) yes
  M1 O5 . 1.969(3) yes
  M1 O5 5_565 1.969(3) yes
  M1 O2 2_554 2.082(3) yes
  M1 O2 6_566 2.082(3) yes
  M2 O5 7_556 1.977(3) yes
  M2 O5 5 1.977(3) yes
  M2 O3 . 2.058(3) yes
  M2 O3 3 2.058(3) yes
  M2 O1 6_556 2.063(3) yes
  M2 O1 8_655 2.063(3) yes
  O1 M1 4 1.964(3) no
  O1 M2 6_666 2.063(3) no
  O2 M1 2 2.082(3) no
  O2 Pb1 6_556 2.333(3) no
  O2 Pb2 6_556 2.542(7) no
  O3 Pb1 5_655 2.391(3) no
  O3 Pb2 5_655 2.577(7) no
  O3 Pb2 8_755 2.737(8) no
  O4 Ge . 1.762(2) yes
  O4 Ge 3_555 1.762(2) yes
  O4 Pb1 1_4555 3.161(3) yes
  O4 Pb1 3_655 3.161(3) yes
  O4 Pb2 1_4555 3.155(3) yes
  O4 Pb2 3_655 3.155(3) yes
  O5 M2 5 1.977(3) no
  O5 Pb2 1_455 2.259(5) no
  O5 Pb1 4_455 2.396(3) no
  O5 Pb1 1_455 2.484(3) no