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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/1/53/12/1531215.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_1531215
loop_
_publ_author_name
'Borisova, T.A.'
'Dimitrova, O.V.'
'Belokoneva, E.L.'
_publ_section_title
;
 A new centrosymmetric modification of synthetic hilgardite Pb2 (B5 O9) (O
 H) * 0.5(H2 O)
;
_journal_name_full               Kristallografiya
_journal_page_first              435
_journal_page_last               438
_journal_volume                  47
_journal_year                    2002
_chemical_formula_sum            'B5 H2 O10.5 Pb2'
_chemical_name_systematic        'Pb2 (B5 O9) (O H) (H2 O)0.5'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2n'
_symmetry_space_group_name_H-M   'P 1 1 21/n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                91.03
_cell_formula_units_Z            4
_cell_length_a                   11.32
_cell_length_b                   6.632
_cell_length_c                   11.549
_cell_volume                     866.892
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Borisova_KRISAJ_2002_730.cif
_cod_data_source_block           H2B5O10.5Pb2
_cod_original_cell_volume        866.8923
_cod_original_sg_symbol_Hall     '-P 2ybc (z,x-z,y)'
_cod_original_formula_sum        'H2 B5 O10.5 Pb2'
_cod_database_code               1531215
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y+1/2,z+1/2
-x,-y,-z
x-1/2,y-1/2,-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
O6 O-2 0.1987 0.149 0.4306 1 0.0
B3 B+3 0.7276 0.209 0.6928 1 0.0
O8 O-2 0.0795 0.014 0.7018 1 0.0
O3 O-2 0.0738 0.239 0.2771 1 0.0
O5 O-2 0.6965 0.161 0.5689 1 0.0
O11 O-2 0 0 0 1 0.0
Pb2 Pb+2 0.31801 0.0164 0.02255 1 0.0
O4 O-2 0.2803 0.229 0.2391 1 0.0
B1 B+3 0.9601 0.174 0.28 1 0.0
O1 O-2 0.8229 0.083 0.7344 1 0.0
O10 O-2 0.2755 0.001 0.6053 1 0.0
O2 O-2 0.7403 0.078 0.1955 1 0.0
O9 O-2 0.5105 0.166 0.0684 1 0.0
O7 O-2 0.6203 0.172 0.7646 1 0.0
B5 B+3 0.1842 0.134 0.2992 1 0.0
B2 B+3 0.2597 -0.008 0.491 1 0.0
Pb1 Pb+2 0.02351 0.6616 0.2248 1 0.0
B4 B+3 0.2118 0.056 0.7128 1 0.0
