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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/1/53/11/1531121.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_1531121
loop_
_publ_author_name
'Belokoneva, E.L.'
'Dimitrova, O.V.'
'Borisova, T.A.'
'Stefanovich, S.Yu.'
_publ_section_title
;
 New nonlinear-optical Pb3 (O H) (B9 O16) (B (O H)3) crystal with the
 zeolite-like nonaborate framework, its place in systematization, and
 structure-genetic relation to Pb B4 O7
;
_journal_name_full               'Zhurnal Neorganicheskoi Khimii'
_journal_page_first              1788
_journal_page_last               1794
_journal_volume                  46
_journal_year                    2001
_chemical_formula_sum            'B10 H4 O20 Pb3'
_chemical_name_systematic        'Pb3 (O H) (B9 O16) (B (O H)3)'
_space_group_IT_number           159
_symmetry_space_group_name_Hall  'P 3 -2c'
_symmetry_space_group_name_H-M   'P 3 1 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   10.07
_cell_length_b                   10.07
_cell_length_c                   8.53
_cell_volume                     749.098
_citation_journal_id_ASTM        ZNOKAQ
_cod_data_source_file            Belokoneva_ZNOKAQ_2001_104.cif
_cod_data_source_block           H4B10O20Pb3
_cod_original_cell_volume        749.0979
_cod_original_formula_sum        'H4 B10 O20 Pb3'
_cod_database_code               1531121
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
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 0.6667 0.3333 0.17 1 0.0
O8 O-2 0.138 0.003 0.175 1 0.0
B3 B+3 0.431 0.3 0.916 1 0.0
O1 O-2 0.464 0.195 0.975 1 0.0
B2 B+3 0.604 0.028 0.184 1 0.0
Pb1 Pb+2 0.13495 0.40769 0 1 0.0
O2 O-2 0.404 0.246 0.231 1 0.0
B1 B+3 0.509 0.21 0.145 1 0.0
O5 O-2 0.483 0.064 0.207 1 0.0
O4 O-2 0.427 0.312 0.754 1 0.0
B4 B+3 0 0 0.173 1 0.0
O7 O-2 0.6667 0.3333 0.534 1 0.0
O3 O-2 0.616 0.006 0.011 1 0.0
