#------------------------------------------------------------------------------
#$Date: 2024-05-09 11:47:05 +0300 (Thu, 09 May 2024) $
#$Revision: 291792 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/04/9010405.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_9010405
loop_
_publ_author_name
'Dorsam, G.'
'Liebscher, A.'
'Wunder, B.'
'Franz, G.'
_publ_section_title
;
 Crystal structures of synthetic melanotekite (Pb2Fe2Si2O9), kentrolite
 (Pb2Mn2Si2O9), and the aluminum analogue (Pb2Al2Si2O9)
;
_journal_name_full               'American Mineralogist'
_journal_page_first              573
_journal_page_last               583
_journal_paper_doi               10.2138/am.2008.2594
_journal_volume                  93
_journal_year                    2008
_chemical_formula_structural     Pb2Al2Si2O9
_chemical_formula_sum            'Al2 O9 Pb2 Si2'
_space_group_IT_number           60
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.8981
_cell_length_b                   10.6906
_cell_length_c                   9.7413
_cell_formula_units_Z            4
_cell_volume                     718.370
_database_code_amcsd             0004537
_exptl_crystal_density_diffrn    6.181
_cod_original_formula_sum        'Pb2 Al2 Si2 O9'
_cod_database_code               9010405
_amcsd_formula_title             Pb2Al2Si2O9
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_U_iso_or_equiv
Pb 0.45060 0.30435 0.54954 0.01230
Al1 0.50000 0.00000 0.00000 0.00600
Al2 0.50000 0.14670 0.25000 0.00700
Si 0.21710 -0.08830 0.24880 0.00700
O1 0.34770 0.00820 0.33720 0.00800
O2 0.30800 -0.10680 0.09650 0.01100
O3 0.18540 -0.22600 0.31690 0.00900
O4 0.00000 -0.02270 0.25000 0.01000
O5 0.60960 0.14100 0.42300 0.00800
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0004537
