#------------------------------------------------------------------------------
#$Date: 2018-08-10 04:16:40 +0300 (Fri, 10 Aug 2018) $
#$Revision: 209540 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/05/8100585.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_8100585
loop_
_publ_author_name
'Mi, Jin-Xiao'
'Li, Man-Rong'
'Mao, Shao-Yu'
'Huang, Ya-Xi'
'Wei, Zan-Bin'
'Zhao, Jing-Tai'
'Kniep, Rüdiger'
_publ_section_title
;
 Crystal structure of ammonium indium(monophosphate-hydrogenmonoborate-
 monophosphate), (NH₄)In[BP₂O₈(OH)]
;
_journal_coden_ASTM              ZKNSFT
_journal_issue                   1
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              5
_journal_page_last               6
_journal_paper_doi               10.1524/ncrs.2002.217.1.5
_journal_volume                  217
_journal_year                    2002
_chemical_formula_structural     '(NH4)In [BP2 O8 (OH)]'
_chemical_formula_sum            'B H5 In N O9 P2'
_chemical_formula_weight         350.62
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                93.077(5)
_cell_angle_beta                 93.331(6)
_cell_angle_gamma                80.634(5)
_cell_formula_units_Z            2
_cell_length_a                   5.2980(4)
_cell_length_b                   8.4880(4)
_cell_length_c                   8.3901(5)
_cell_measurement_temperature    293(2)
_cell_volume                     371.26(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    3.136
_cod_original_formula_sum        'H5 B In N O9 P2'
_cod_database_code               8100585
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
In In 0.72294(4) 0.20588(3) 0.68316(3) 0.00966(8) Uani 1 2 d . . .
P1 P 0.21796(16) 0.18898(10) 1.42965(10) 0.00913(14) Uani 1 2 d . . .
P2 P 0.19536(16) 0.31015(10) 0.91536(10) 0.00925(15) Uani 1 2 d . . .
O1 O 0.0419(5) 0.3223(3) 1.3348(3) 0.0137(4) Uani 1 2 d . . .
O2 O 0.1304(5) 0.4684(3) 0.8259(3) 0.0154(5) Uani 1 2 d . . .
O3 O -0.0258(5) 0.2150(3) 0.8961(3) 0.0129(4) Uani 1 2 d . . .
O4 O 0.0723(5) 0.1542(3) 1.5693(3) 0.0146(5) Uani 1 2 d . . .
O5 O 0.4684(5) 0.2512(3) 0.4811(3) 0.0162(5) Uani 1 2 d . . .
O6 O 0.2532(5) 0.3505(3) 1.0948(3) 0.0156(5) Uani 1 2 d . . .
O7 O 0.2757(6) 0.0433(3) 1.3132(3) 0.0158(5) Uani 1 2 d . . .
O8 O 0.2811(5) 0.5388(3) 1.3115(3) 0.0159(5) Uani 1 2 d . . .
O9 O 0.4431(5) 0.2164(3) 0.8581(3) 0.0127(4) Uani 1 2 d . . .
N N 0.7193(6) 0.1148(4) 1.1607(4) 0.0184(6) Uani 1 2 d . . .
B B 0.1120(7) 0.4369(4) 1.2278(4) 0.0104(6) Uani 1 2 d . . .
H1 H 0.4017 0.4683 1.3493 0.050 Uiso 1 2 d . . .
H2 H 0.8349 0.1606 1.2094 0.050 Uiso 1 2 d . . .
H3 H 0.8236 0.0224 1.1231 0.050 Uiso 1 2 d . . .
H4 H 0.6678 0.1431 1.0773 0.050 Uiso 1 2 d . . .
H5 H 0.6338 0.0620 1.2057 0.050 Uiso 1 2 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
In O4 2.104(3) 1_654 n
In O7 2.115(3) 2_657 n
In O5 2.115(3) . n
In O9 2.135(3) . n
In O8 2.162(3) 2_667 n
In O3 2.171(2) 1_655 n
P1 O4 1.507(3) . n
P1 O7 1.536(3) . n
P1 O5 1.537(3) 1_556 n
P1 O1 1.566(3) . n
P2 O9 1.510(3) . n
P2 O3 1.524(3) . n
P2 O6 1.550(3) . n
P2 O2 1.554(3) . n
O1 B 1.463(5) . n
O2 B 1.461(4) 2_567 n
O3 In 2.171(2) 1_455 n
O4 In 2.104(3) 1_456 n
O5 P1 1.537(3) 1_554 n
O6 B 1.474(4) . n
O7 In 2.115(3) 2_657 n
O8 B 1.469(4) . n
O8 In 2.162(3) 2_667 n
B O2 1.461(4) 2_567 n
