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#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/46/1524671.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_1524671
loop_
_publ_author_name
'Keve, E.T.'
'Skapski, A.C.'
_publ_section_title
;
 The crystal structure of triclinic beta-Bi Nb O4
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              159
_journal_page_last               165
_journal_volume                  8
_journal_year                    1973
_chemical_formula_sum            'Bi Nb O4'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                89.88
_cell_angle_beta                 77.43
_cell_angle_gamma                87.15
_cell_formula_units_Z            4
_cell_length_a                   7.611
_cell_length_b                   5.536
_cell_length_c                   7.919
_cell_volume                     325.250
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Keve_JSSCBI_1973_1048.cif
_cod_data_source_block           Bi1Nb1O4
_cod_original_cell_volume        325.2496
_cod_original_formula_sum        'Bi1 Nb1 O4'
_cod_database_code               1524671
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_occupancy
_atom_site_U_iso_or_equiv
Nb1 Nb+5 0.6556 0.775 0.6784 1 0.0
O1 O-2 0.325 0.292 0.047 1 0.0
O5 O-2 0.108 0.439 0.822 1 0.0
O7 O-2 0.448 0.918 0.226 1 0.0
Bi1 Bi+3 0.1215 0.7644 0.6272 1 0.0
O4 O-2 0.312 0.167 0.551 1 0.0
O8 O-2 0.54 0.449 0.278 1 0.0
Bi2 Bi+3 0.8335 0.282 0.8745 1 0.0
Nb2 Nb+5 0.3243 0.247 0.8228 1 0.0
O2 O-2 0.106 0.988 0.319 1 0.0
O3 O-2 0.167 0.464 0.36 1 0.0
O6 O-2 0.168 0.972 0.863 1 0.0
