#------------------------------------------------------------------------------
#$Date: 2015-07-13 06:30:58 +0300 (Mon, 13 Jul 2015) $
#$Revision: 149739 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/36/8103667.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_8103667
loop_
_publ_author_name
'Petter, W.'
'Harnik, A.B.'
'Keppler, U.'
_publ_section_title
;
 Die Kristallstruktur von Blei-Barysilit, Pb3Si2O7
;
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, 
Kristallchemie (-144,1977)
;
_journal_page_first              445
_journal_page_last               458
_journal_volume                  133
_journal_year                    1971
_chemical_formula_sum            'O7 Pb3 Si2'
_chemical_name_systematic        'Pb3 Si2 O7'
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            18
_cell_length_a                   10.1264
_cell_length_b                   10.1264
_cell_length_c                   38.678
_cell_volume                     3434.826
_citation_journal_id_ASTM        ZEKGAX
_cod_data_source_file            Petter_ZEKGAX_1971_1414.cif
_cod_data_source_block           O7Pb3Si2
_cod_original_cell_volume        3434.827
_cod_database_code               8103667
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z+1/2
-x,-x+y,-z+1/2
x-y,-y,-z+1/2
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z-1/2
x,x-y,z-1/2
-x+y,y,z-1/2
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
y+2/3,x+1/3,-z+5/6
-x+2/3,-x+y+1/3,-z+5/6
x-y+2/3,-y+1/3,-z+5/6
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
-y+2/3,-x+1/3,z-1/6
x+2/3,x-y+1/3,z-1/6
-x+y+2/3,y+1/3,z-1/6
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
y+1/3,x+2/3,-z+7/6
-x+1/3,-x+y+2/3,-z+7/6
x-y+1/3,-y+2/3,-z+7/6
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
-y+1/3,-x+2/3,z+1/6
x+1/3,x-y+2/3,z+1/6
-x+y+1/3,y+2/3,z+1/6
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Pb3 Pb+2 0 0 0.25 1 0.0
Pb2 Pb+2 0 0 0.15919 1 0.0
O3 O-2 0.1581 0.2005 0.2067 1 0.0
Si1 Si+4 0.3278 0.0612 0.1184 1 0.0
O4 O-2 0.2872 0.1955 0.1097 1 0.0
O1 O-2 0.6187 0 0.25 1 0.0
O2 O-2 0.0489 0.2759 0.1496 1 0.0
Pb1 Pb+2 0.27136 0.24408 0.03758 1 0.0
