#------------------------------------------------------------------------------
#$Date: 2017-10-06 18:24:22 +0200 (vie 06 de oct de 2017) $
#$Revision: 201816 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/41/9014112.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_9014112
loop_
_publ_author_name
'Mahe, R.'
_publ_section_title
;
 Etude structurale du metaniobate de plombe rhomboedrique
 II. - Positions des atomes
;
_journal_name_full               'Bulletin de la Societe Chimique de France'
_journal_page_first              1879
_journal_page_last               1884
_journal_volume                  1967
_journal_year                    1967
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Nb2 O6 Pb'
_chemical_name_mineral           Changbaiite
_space_group_IT_number           160
_symmetry_space_group_name_Hall  'R 3 -2"'
_symmetry_space_group_name_H-M   'R 3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   10.501
_cell_length_b                   10.501
_cell_length_c                   11.555
_cell_volume                     1103.473
_database_code_amcsd             0018892
_exptl_crystal_density_diffrn    6.623
_cod_original_cell_volume        1103.474
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum        'Pb Nb2 O6'
_cod_database_code               9014112
loop_
_space_group_symop_operation_xyz
x,y,z
2/3+x,1/3+y,1/3+z
1/3+x,2/3+y,2/3+z
x,x-y,z
2/3+x,1/3+x-y,1/3+z
1/3+x,2/3+x-y,2/3+z
-y,-x,z
2/3-y,1/3-x,1/3+z
1/3-y,2/3-x,2/3+z
-x+y,y,z
2/3-x+y,1/3+y,1/3+z
1/3-x+y,2/3+y,2/3+z
-y,x-y,z
2/3-y,1/3+x-y,1/3+z
1/3-y,2/3+x-y,2/3+z
-x+y,-x,z
2/3-x+y,1/3-x,1/3+z
1/3-x+y,2/3-x,2/3+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Pb1 0.00000 0.00000 0.00000 0.00595
Pb2 0.00000 0.00000 0.35710 0.00595
Pb3 0.00000 0.00000 0.66890 0.00595
Nb 0.34530 0.34780 0.16290 0.00887
O1 0.37100 0.31400 0.01600 0.02533
O2 0.57200 0.42800 0.16500 0.03800
O3 0.83400 0.16600 0.20000 0.03800
O4 0.42500 0.57500 0.19300 0.03800
O5 0.11400 0.88600 0.12900 0.03800
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0018892
