#------------------------------------------------------------------------------
#$Date: 2016-02-16 18:55:33 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176466 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/12/8101263.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_8101263
loop_
_publ_author_name
'Engelhardt, Holger'
'Borrmann, Horst'
'Kniep, Rüdiger'
_publ_section_title
;
Crystal structure of rubidium vanadium(III) catena-[monohydrogenmonoborate-
bis(monophosphate)], RbV[BP₂O₈(OH)]
;
_journal_issue                   2
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              203
_journal_page_last               206
_journal_volume                  215
_journal_year                    2000
_chemical_formula_structural     'Rb V [B P2 O8 (O H)]'
_chemical_formula_sum            'B H O9 P2 Rb V'
_chemical_formula_weight         354.17
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 102.0781(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.3789(5)
_cell_length_b                   8.3296(4)
_cell_length_c                   9.6701(3)
_cell_measurement_temperature    293(2)
_cell_volume                     738.73(6)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    3.184
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'H B O9 P2 Rb V'
_cod_database_code               8101263
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Rb Rb 0.18820(10) 0.60155(11) 0.56009(9) 0.0259(3) Uani 1 4 e d . . .
V V 0.21066(14) 0.15015(15) 0.43376(13) 0.0067(3) Uani 1 4 e d . . .
B B 0.3343(10) 0.5590(10) 0.1957(9) 0.0089(18) Uani 1 4 e d . . .
P1 P 0.0740(2) 0.4353(2) 0.20751(19) 0.0062(4) Uani 1 4 e d . . .
P2 P 0.4220(2) 0.2406(2) 0.2171(2) 0.0071(4) Uani 1 4 e d . . .
O1 O 0.0761(6) 0.0085(6) 0.3073(5) 0.0101(11) Uani 1 4 e d . . .
O2 O 0.0891(6) 0.3343(6) 0.0805(5) 0.0127(12) Uani 1 4 e d . . .
O3 O 0.1059(6) 0.3426(6) 0.3463(5) 0.0101(11) Uani 1 4 e d . . .
O4 O 0.1874(5) 0.5768(6) 0.2232(5) 0.0095(11) Uani 1 4 e d . . .
O5 O 0.3168(7) 0.5496(7) 0.0384(6) 0.0117(13) Uani 1 4 e d . . .
O6 O 0.3480(6) 0.1288(6) 0.3027(5) 0.0121(12) Uani 1 4 e d . . .
O7 O 0.3658(6) 0.2223(6) 0.0597(5) 0.0129(12) Uani 1 4 e d . . .
O8 O 0.4111(6) 0.4171(6) 0.2643(5) 0.0113(11) Uani 1 4 e d . . .
O9 O 0.5887(5) 0.2059(6) 0.2510(5) 0.0093(11) Uani 1 4 e d . . .
H1 H 0.363(14) 0.577(17) 0.004(14) 0.06(5) Uiso 1 4 e d . . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Rb O9 2.948(5) 3_666 ?
Rb O1 2.952(5) 4_566 ?
Rb O3 2.975(5) . ?
Rb O4 3.110(5) 4_576 ?
Rb O3 3.113(5) 3_566 ?
Rb O6 3.156(5) 4_566 ?
Rb O5 3.170(6) 4_576 ?
Rb O7 3.171(5) 4_566 ?
Rb O4 3.263(5) . ?
Rb B 3.292(9) 4_576 ?
Rb O2 3.300(5) 2 ?
Rb P1 3.628(2) . ?
V O1 1.958(5) . ?
V O3 1.976(5) . ?
V O6 1.995(5) . ?
V O7 1.997(5) 4_566 ?
V O2 2.002(5) 4_566 ?
V O5 2.089(6) 4_566 ?
V Rb 4.1447(15) 4_565 ?
V Rb 4.2858(16) 3_566 ?
B O9 1.458(10) 2_655 ?
B O4 1.464(10) . ?
B O8 1.468(10) . ?
B O5 1.497(11) . ?
B Rb 3.292(9) 4_575 ?
P1 O1 1.513(5) 2 ?
P1 O2 1.520(5) . ?
P1 O3 1.523(5) . ?
P1 O4 1.574(5) . ?
P1 Rb 3.675(2) 3_566 ?
P2 O6 1.509(5) . ?
P2 O7 1.511(5) . ?
P2 O8 1.549(5) . ?
P2 O9 1.556(5) . ?
P2 Rb 3.721(2) 4_565 ?
P2 Rb 4.055(2) 3_666 ?
O1 P1 1.513(5) 2_545 ?
O1 Rb 2.952(5) 4_565 ?
O2 V 2.002(5) 4_565 ?
O2 Rb 3.300(5) 2_545 ?
O3 Rb 3.113(5) 3_566 ?
O4 Rb 3.110(5) 4_575 ?
O5 V 2.089(6) 4_565 ?
O5 Rb 3.170(6) 4_575 ?
O5 H1 0.64(12) . ?
O6 Rb 3.156(5) 4_565 ?
O7 V 1.997(5) 4_565 ?
O7 Rb 3.171(5) 4_565 ?
O9 B 1.458(10) 2_645 ?
O9 Rb 2.948(5) 3_666 ?
