#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/12/1511243.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_1511243
loop_
_publ_author_name
'Do, J.'
'Jacobson, A.J.'
'Bontchev, R.P.'
_publ_section_title
;
 Templated synthesis of vanadium borophosphate cluster anions: (C4 H12
 N2)6 ((V O)2 B P2 O10)4n * 6(H2 O), (N H4)18 ((V O)2 B P2 O10)18n * 12(H2
 O) and (Na)15 ((V O)2 B P2 O10)5n * 12(H2 O)
;
_journal_name_full               'Angew. Chem. Int. ed.'
_journal_page_first              1937
_journal_page_last               1940
_journal_paper_doi
10.1002/(SICI)1521-3773(19990712)38:13/14<1937::AID-ANIE1937>3.0.CO;2-5
_journal_volume                  38
_journal_year                    1999
_chemical_formula_sum            'B N O13.5 P2 V2'
_chemical_name_systematic        '(N H4) ((V O)2 B P2 O9) (H2 O)3'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-P 3* 2'
_symmetry_space_group_name_H-M   'R -3 m :R'
_cell_angle_alpha                71.955
_cell_angle_beta                 71.955
_cell_angle_gamma                71.955
_cell_formula_units_Z            6
_cell_length_a                   14.1159
_cell_length_b                   14.1159
_cell_length_c                   14.1159
_cell_volume                     2470.686
_citation_journal_id_ASTM        ACIEF5
_cod_data_source_file            boron0-1_363.cif
_cod_data_source_block           B1N1O13.5P2V2
_cod_original_sg_symbol_Hall     '-R 3 2" (-y+z,x+z,-x+y+z)'
_cod_original_formula_sum        'B1 N1 O13.5 P2 V2'
_cod_database_code               1511243
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
z,x,y
y,z,x
-y,-x,-z
-z,-y,-x
-x,-z,-y
-x,-y,-z
-z,-x,-y
-y,-z,-x
y,x,z
z,y,x
x,z,y
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
N4 N-3 0.4367 0.1736 0.1736 0.25 0.0
O11 O-2 0.3276 0.6724 0 0.5 0.0
O9 O-2 0.75389 0.75389 0.0971 1 0.0
N1 N-3 0.5 0.5 0.5 1 0.0
P2 P+5 0.60756 0.60756 0.02583 1 0.0
O1 O-2 0.4437 0.5986 0.3054 0.5 0.0
B1 B+3 0.6845 0.6845 0.1251 1 0.0
O12 O-2 0.5711 0.5711 -0.2347 0.25 0.0
O6 O-2 0.6758 0.6758 0.0264 1 0.0
N2 N-3 0.7637 0.063 0.063 0.25 0.0
O3 O-2 0.3188 0.75 0.1695 1 0.0
O8 O-2 0.8514 0.8514 0.1333 1 0.0
O7 O-2 0.6135 0.6135 -0.0839 1 0.0
P1 P+5 0.78078 0.78078 0.18375 1 0.0
V2 V+4 0.54627 0.85838 0.22615 0.5 0.0
O13 O-2 0.3161 0.2127 0.2127 0.25 0.0
N3 N-3 0.112 0.112 0.112 1 0.0
O10 O-2 0.3391 0.0843 0.0843 0.5 0.0
O5 O-2 0.4986 0.6492 0.0828 1 0.0
O4 O-2 0.58386 0.72934 0.1837 1 0.0
O2 O-2 0.5399 0.9486 0.1258 0.5 0.0
V1 V+4 0.45314 0.69654 0.21288 0.5 0.0
