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#$Date: 2016-02-20 01:53:41 +0100 (Sat 20 de Feb de 2016) $
#$Revision: 176768 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/54/2105419.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2105419
loop_
_publ_author_name
'Krogh-Moe, J.'
'Wold-Hansen, P.S.'
_publ_section_title
;
 The crystal structure of hexalead pentaborate, (Pb O)6 (B2 O3)5
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              2242
_journal_page_last               2246
_journal_paper_doi               10.1107/S0567740873006412
_journal_volume                  29
_journal_year                    1973
_chemical_formula_sum            'B10 O21 Pb6'
_chemical_name_systematic        'Pb6 B10 O21'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                85.89
_cell_angle_beta                 102
_cell_angle_gamma                119.56
_cell_formula_units_Z            1
_cell_length_a                   6.833
_cell_length_b                   7.01
_cell_length_c                   11.125
_cell_volume                     453.092
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            boron0-1_517.cif
_cod_data_source_block           B10O21Pb6
_cod_original_cell_volume        453.0921
_cod_database_code               2105419
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-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
O10 O-2 0.3042 0.9347 0.054 1 0.0
Pb1 Pb+2 0.4831 0.1405 0.3022 1 0.0
B1 B+3 0.2992 0.4694 0.2976 1 0.0
O4 O-2 0.5121 0.4806 0.2888 1 0.0
O9 O-2 -0.059 0.6795 0.108 1 0.0
Pb3 Pb+2 0.4886 0.7326 0.0615 1 0.0
O8 O-2 0.2273 0.5786 0.1981 1 0.0
B3 B+3 -0.1049 0.1629 0.2417 1 0.0
O1 O-2 -0.1679 0.3211 0.2012 1 0.0
B2 B+3 0.009 0.5657 0.2026 1 0.0
O5 O-2 0.3257 0.5683 0.4196 1 0.0
B5 B+3 0.094 0.8737 0.0563 1 0.0
O3 O-2 0.1187 0.2324 0.2944 1 0.0
O2 O-2 -0.278 -0.0447 0.2354 1 0.0
O6 O-2 0.2254 0.7804 0.5329 1 0.0
Pb2 Pb+2 -0.2069 0.7618 0.4096 1 0.0
O11 O-2 0 0 0 1 0.0
O7 O-2 0.0321 0.6627 0.3234 1 0.0
B4 B+3 0.1873 0.6661 0.4262 1 0.0
