#------------------------------------------------------------------------------
#$Date: 2016-02-18 14:25:00 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176728 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/00/8100096.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_8100096
loop_
_publ_author_name
'Ziegler, Peter'
'Ströbele, Markus'
'Meyer, H.-Jürgen'
_publ_section_title
;
Crystal structure of pentabismuth heptaoxide nitrate, Bi₅O₇NO₃
;
_journal_issue                   2
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              91
_journal_page_last               92
_journal_volume                  219
_journal_year                    2004
_chemical_formula_moiety         'Bi5 O7 NO3'
_chemical_formula_sum            'Bi5 N O10'
_chemical_formula_weight         1218.91
_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                 108.103(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.5846(6)
_cell_length_b                   23.3846(19)
_cell_length_c                   5.5422(4)
_cell_measurement_temperature    210(2)
_cell_volume                     1057.51(14)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    7.656
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               8100096
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
Bi1 Bi 0.35795(6) 0.561391(18) 0.90567(8) 0.01172(15) Uani 1 4 e d . . .
Bi2 Bi 0.69547(6) 0.560955(18) 0.58854(8) 0.01183(15) Uani 1 4 e d . . .
Bi3 Bi 0.34773(6) 0.811474(17) 0.88485(8) 0.01105(15) Uani 1 4 e d . . .
Bi4 Bi 0.65266(6) 0.812613(17) 0.59869(8) 0.01101(15) Uani 1 4 e d . . .
Bi5 Bi 0.00281(6) 0.70108(2) 0.70618(8) 0.01092(15) Uani 1 4 e d . . .
O1 O 0.5187(11) 0.7577(4) 0.7908(15) 0.0155(18) Uani 1 4 e d . . .
O2 O 0.5079(11) 0.5966(4) 0.7111(15) 0.0185(19) Uani 1 4 e d . . .
O3 O -0.1440(11) 0.7557(4) 0.8435(13) 0.0161(19) Uani 1 4 e d . . .
O4 O 0.3930(11) 0.8539(4) 0.5675(13) 0.0147(18) Uani 1 4 e d . . .
O5 O 0.7419(12) 0.6411(4) 0.4766(14) 0.019(2) Uani 1 4 e d . . .
O6 O 0.5379(11) 0.5284(4) 0.2295(14) 0.0168(19) Uani 1 4 e d . . .
O7 O 0.1619(11) 0.7655(4) 0.6077(14) 0.0167(19) Uani 1 4 e d . . .
N1 N 0.0027(15) 0.9252(6) 0.705(2) 0.023(3) Uani 1 4 e d . . .
O8 O -0.0662(15) 0.8891(5) 0.5316(18) 0.037(3) Uani 1 4 e d . . .
O9 O 0.1542(16) 0.9180(6) 0.837(2) 0.055(4) Uani 1 4 e d . . .
O10 O -0.0700(19) 0.9702(6) 0.725(2) 0.057(4) Uani 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
Bi1 O2 2.088(10) . ?
Bi1 O6 2.116(8) . ?
Bi1 O4 2.158(8) 4_576 ?
Bi1 O6 2.488(9) 3_667 ?
Bi2 O5 2.053(8) . ?
Bi2 O2 2.104(9) . ?
Bi2 O6 2.167(7) 1_554 ?
Bi3 O1 2.117(9) . ?
Bi3 O7 2.131(8) . ?
Bi3 O4 2.157(8) . ?
Bi3 Bi4 3.4566(8) . ?
Bi4 O1 2.205(9) . ?
Bi4 O5 2.268(7) 4_576 ?
Bi4 O3 2.277(8) 1_655 ?
Bi4 O4 2.385(9) . ?
Bi4 O1 2.392(8) 4_575 ?
Bi5 O3 2.097(9) . ?
Bi5 O7 2.212(9) . ?
Bi5 O3 2.253(8) 4_575 ?
Bi5 O7 2.354(8) 4_576 ?
Bi5 O5 2.613(9) 1_455 ?
Bi5 Bi5 3.5936(7) 4_576 ?
Bi5 Bi5 3.5936(7) 4_575 ?
O1 Bi4 2.392(8) 4_576 ?
O3 Bi5 2.253(8) 4_576 ?
O3 Bi4 2.277(8) 1_455 ?
O4 Bi1 2.158(8) 4_575 ?
O5 Bi4 2.268(7) 4_575 ?
O5 Bi5 2.613(9) 1_655 ?
O6 Bi2 2.167(7) 1_556 ?
O6 Bi1 2.488(9) 3_667 ?
O7 Bi5 2.354(8) 4_575 ?
N1 O10 1.246(17) . ?
N1 O8 1.278(17) . ?
N1 O9 1.289(16) . ?
