#------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/2/01/88/2018870.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_2018870
loop_
_publ_author_name
'Lager, G.A.'
'Armbruster, T.'
_publ_section_title
;
 Structure of Pentanickel Titanium Diboron Oxide, Ni5 Ti B2 O10
;
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              1400
_journal_page_last               1402
_journal_volume                  41
_journal_year                    1985
_chemical_formula_sum            'B2 Ni5 O10 Ti'
_chemical_name_systematic        'Ni5 Ti O4 (B O3)2'
_space_group_IT_number           55
_symmetry_space_group_name_Hall  '-P 2 2ab'
_symmetry_space_group_name_H-M   'P b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.221
_cell_length_b                   9.199
_cell_length_c                   2.996
_cell_volume                     336.813
_citation_journal_id_ASTM        ACSCEE
_cod_data_source_file            boron_288.cif
_cod_data_source_block           B2Ni5O10Ti1
_cod_original_cell_volume        336.8133
_cod_original_formula_sum        'B2 Ni5 O10 Ti1'
_cod_database_code               2018870
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z
-x,-y,-z
x,y,-z
-x-1/2,y-1/2,z
x-1/2,-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
O5 O-2 0.458 0.1503 0.5 1 0.0
Ti1 Ti+4 0.11412 0.26068 0.5 0.5 0.0
O4 O-2 0.1409 0.8762 0.5 1 0.0
O3 O-2 0.1444 0.3911 0 1 0.0
O2 O-2 0.738 0.8477 0.5 1 0.0
Ni1 Ni+2 0 0 0.5 1 0.0
Ni4 Ni+2 0.11412 0.26068 0.5 0.5 0.0
O1 O-2 0.9242 0.882 0 1 0.0
Ni2 Ni+2 0.2827 0.50067 0 1 0.0
Ni3 Ni+2 0.5 0 0 1 0.0
B1 B+3 0.1401 0.7268 0.5 1 0.0
