#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/75/1537555.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_1537555
loop_
_publ_author_name
'Krivovichev, S.V.'
'Burns, P.C.'
_publ_section_title
;
 Crystal structure of synthetic alamosite Pb (Si O3)
;
_journal_name_full
'Zapiski Vserossijskogo Mineralogicheskogo Obshchestva'
_journal_page_first              70
_journal_page_last               76
_journal_volume                  2004
_journal_year                    2004
_chemical_formula_sum            'O3 Pb Si'
_chemical_name_systematic        'Pb (Si O3)'
_space_group_IT_number           13
_symmetry_space_group_name_Hall  '-P 2yac'
_symmetry_space_group_name_H-M   'P 1 2/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 113.01
_cell_angle_gamma                90
_cell_formula_units_Z            12
_cell_length_a                   11.209
_cell_length_b                   7.041
_cell_length_c                   12.22
_cell_volume                     887.700
_citation_journal_id_ASTM        ZVMOEK
_cod_data_source_file            Krivovichev_ZVMOEK_2004_584.cif
_cod_data_source_block           O3Pb1Si1
_cod_original_cell_volume        887.7002
_cod_original_sg_symbol_Hall     '-P 2yc (x-z,y,z)'
_cod_original_formula_sum        'O3 Pb1 Si1'
_cod_database_code               1537555
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y,-z+1/2
-x,-y,-z
x-1/2,-y,z-1/2
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
O4 O-2 0.659 0.053 0.045 1 0.0
O2 O-2 0.75 0.227 0.25 1 0.0
Si1 Si+4 0.6168 0.128 0.1545 1 0.0
Pb2 Pb+2 0.40944 0.3845 0.8464 1 0.0
Pb1 Pb+2 0.54534 0.0647 0.67411 1 0.0
O7 O-2 0.408 0.285 0.304 1 0.0
O1 O-2 0.5 0.5 0.5 1 0.0
O5 O-2 0.507 0.293 0.109 1 0.0
O6 O-2 0.574 0.948 0.21 1 0.0
O8 O-2 0.424 0.426 0.669 1 0.0
O3 O-2 0.638 0.238 0.455 1 0.0
O10 O-2 0.715 0.048 0.857 1 0.0
Si2 Si+4 0.5293 0.4066 0.3913 1 0.0
Si3 Si+4 0.7126 0.1823 0.9624 1 0.0
O9 O-2 0.629 0.372 0.913 1 0.0
Pb3 Pb+2 0.29909 0.3047 0.0997 1 0.0
