#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/44/1524455.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_1524455
loop_
_publ_author_name
'Grube, H.H.'
_publ_section_title
;
 Die Struktur des (Pb O)3 (B2 O3)5 (H2 O)2
;
_journal_name_full               'Fortschritte der Mineralogie, Beiheft'
_journal_page_first              58
_journal_page_last               59
_journal_volume                  59
_journal_year                    1981
_chemical_formula_sum            'B10 H4 O20 Pb3'
_chemical_name_systematic        '(Pb O)3 (B2 O3)5 (H2 O)2'
_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                   10.0935
_cell_length_b                   10.0935
_cell_length_c                   8.5388
_cell_volume                     753.375
_citation_journal_id_ASTM        FMNBB6
_cod_data_source_file            Grube_FMNBB6_1981_541.cif
_cod_data_source_block           H4B10O20Pb3
_cod_original_cell_volume        753.3748
_cod_original_formula_sum        'H4 B10 O20 Pb3'
_cod_database_code               1524455
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
Pb1 Pb+2 0.7272 0.1349 0 1 0.0
O2 O-2 0.6667 0.3333 0.052 1 0.0
O6 O-2 0.3333 0.6667 0.177 1 0.0
B2 B+3 0.434 0.134 0.412 1 0.0
O3 O-2 0.269 0.467 0.983 1 0.0
O4 O-2 0.678 0.57 0.264 1 0.0
O8 O-2 0.615 0.62 0.005 1 0.0
B1 B+3 0 0 0.204 1 0.0
O7 O-2 0.137 0.131 0.68 1 0.0
B4 B+3 0.604 0.577 0.691 1 0.0
O5 O-2 0.065 0.581 0.216 1 0.0
B3 B+3 0.301 0.5 0.153 1 0.0
O1 O-2 0.405 0.164 0.742 1 0.0
