#------------------------------------------------------------------------------
#$Date: 2024-05-09 11:47:05 +0300 (Thu, 09 May 2024) $
#$Revision: 291792 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/04/9010404.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_9010404
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_compound_source        Synthetic
_chemical_formula_sum            'Mn2 O9 Pb2 Si2'
_chemical_name_mineral           Kentrolite
_space_group_IT_number           18
_symmetry_space_group_name_Hall  'P 2ac 2ac'
_symmetry_space_group_name_H-M   'P 21 2 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.0079
_cell_length_b                   11.0665
_cell_length_c                   9.9634
_cell_formula_units_Z            4
_cell_volume                     772.691
_database_code_amcsd             0004536
_exptl_crystal_density_diffrn    6.227
_cod_original_formula_sum        'Pb2 Mn2 Si2 O9'
_cod_database_code               9010404
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,-y,1/2-z
1/2-x,-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
_atom_site_U_iso_or_equiv
Pb1 0.54860 0.55250 0.20010 0.72000 0.00860
Pb2 0.53480 0.54760 0.19890 0.28000 0.02670
Pb3 0.54790 -0.05990 0.29740 0.65000 0.00950
Pb4 0.49860 -0.05580 0.29850 0.35000 0.02450
Mn1 0.50000 0.10480 0.00000 1.00000 0.00680
Mn2 0.00000 0.60540 0.00000 1.00000 0.00630
Mn3 0.50160 0.24900 0.24960 1.00000 0.00690
Si1 0.78760 0.15710 0.49710 1.00000 0.00870
Si2 0.78670 0.34360 -0.00370 1.00000 0.00690
O1 0.88870 0.60920 0.17310 1.00000 0.00990
O2 0.00000 0.22220 0.50000 1.00000 0.02120
O3 0.70090 0.36790 0.14340 1.00000 0.01150
O4 0.81220 0.47290 -0.08080 1.00000 0.01340
O5 0.79010 -0.13510 0.14740 1.00000 0.01930
O6 0.66340 0.24540 -0.08820 1.00000 0.01020
O7 0.81170 0.02660 0.42180 1.00000 0.01120
O8 0.65660 0.25110 0.41520 1.00000 0.01060
O9 0.61480 0.11070 0.17200 1.00000 0.00930
O10 0.00000 0.28110 0.00000 1.00000 0.01450
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0004536
