#------------------------------------------------------------------------------
#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/82/9008276.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9008276
loop_
_publ_author_name
'Otto, H. H.'
_publ_section_title
;
 Die kristallstruktur der ferroischen verbindung Pb3[O|GeO4]
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              227
_journal_page_last               240
_journal_volume                  149
_journal_year                    1979
_chemical_formula_structural     Pb3GeO5
_chemical_formula_sum            'Ge O5 Pb3'
_space_group_IT_number           4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 92.55
_cell_angle_gamma                90
_cell_length_a                   5.260
_cell_length_b                   10.437
_cell_length_c                   5.477
_cell_formula_units_Z            2
_cell_volume                     300.382
_database_code_amcsd             0010805
_exptl_crystal_density_diffrn    8.560
_cod_original_formula_sum        'Pb3 Ge O5'
_cod_database_code               9008276
_amcsd_formula_title             Pb3GeO5
loop_
_space_group_symop_operation_xyz
x,y,z
-x,1/2+y,-z
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 0.00910 0.01210 0.02530 0.00180 0.00220 0.00060
Pb2 0.01050 0.01300 0.02890 0.00140 0.00450 -0.00110
Pb3 0.01240 0.01500 0.02410 0.00310 0.00180 -0.00030
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Pb1 -0.02230 0.00000 0.03750 ?
Pb2 0.49090 0.25000 -0.01700 ?
Pb3 0.51360 0.48570 0.49890 ?
Ge 0.02060 0.25670 0.45550 0.01090
O1 -0.30000 0.29100 0.41500 0.01800
O2 0.07100 0.09170 0.47500 0.02200
O3 0.17100 0.31400 0.19200 0.02700
O4 0.16400 0.33500 0.70400 0.01700
O5 0.37700 -0.04300 0.10000 0.01800
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010805
