#------------------------------------------------------------------------------
#$Date: 2016-02-14 15:26:36 +0100 (dom 14 de feb de 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/54/2105417.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2105417
loop_
_publ_author_name
'Modrick, M.A.'
'Ansell, G.B.'
'Wondre, F.R.'
'Wanklyn, B.M.'
'Leonowicz, M.E.'
_publ_section_title
;
 The Structure of Dinickel Niobium(V) Boron Oxide Ni2 Nb B O6
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              892
_journal_page_last               893
_journal_paper_doi               10.1107/S0567740882004300
_journal_volume                  38
_journal_year                    1982
_chemical_formula_sum            'B Nb Ni2 O6'
_chemical_name_systematic        'Ni2 Nb B O6'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.057
_cell_length_b                   8.618
_cell_length_c                   4.49
_cell_volume                     389.154
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            boron0-1_376.cif
_cod_data_source_block           B1Nb1Ni2O6
_cod_original_cell_volume        389.1538
_cod_original_formula_sum        'B1 Nb1 Ni2 O6'
_cod_database_code               2105417
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-y-1/2,z
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
Nb1 Nb+5 0.41866 0.25 0.47239 1 0.0
Ni1 Ni+2 0.13554 0.0702 0.48139 1 0.0
O4 O-2 -0.03806 0.41537 0.2584 1 0.0
O3 O-2 0.29239 0.38483 0.76158 1 0.0
O2 O-2 0.08431 0.25 0.78263 1 0.0
B1 B+3 0.22646 0.25 0.9106 1 0.0
O1 O-2 0.22711 0.25 0.2302 1 0.0
