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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/76/1527677.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_1527677
loop_
_publ_author_name
'Koskenlinna, M.'
'Valkonen, J.'
_publ_section_title
;
 Lead selenite, Pb Se O3
;
_journal_name_full               'Crystal Structure Communications'
_journal_page_first              813
_journal_page_last               816
_journal_volume                  6
_journal_year                    1977
_chemical_formula_sum            'O3 Pb Se'
_chemical_name_systematic        'Pb (Se O3)'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.4
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.552
_cell_length_b                   5.525
_cell_length_c                   6.633
_cell_volume                     160.031
_citation_journal_id_ASTM        CSCMCS
_cod_data_source_file            Koskenlinna_CSCMCS_1977_740.cif
_cod_data_source_block           O3Pb1Se1
_cod_original_cell_volume        160.0314
_cod_original_formula_sum        'O3 Pb1 Se1'
_cod_database_code               1527677
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z
-x,-y,-z
x,-y-1/2,z
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
Se1 Se+4 0.0859 0.75 0.1622 1 0.0
O1 O-2 0.7068 0.75 0.1267 1 0.0
Pb1 Pb+2 0.6389 0.25 0.3018 1 0.0
O2 O-2 0.1991 0.5144 0.3322 1 0.0
