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#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/57/1535738.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_1535738
loop_
_publ_author_name
'Busch, J.'
'Hoffmann, G.'
'Gruehn, R.'
_publ_section_title
;
 Darstellung, Kristallstruktur und elektronenmikroskopische Untersuchung
 von U Nb6 O16 - einem neuen niobreichen Oxid im System U/Nb/O
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1056
_journal_page_last               1065
_journal_volume                  620
_journal_year                    1994
_chemical_formula_sum            'Nb6 O16 U'
_chemical_name_systematic        'U Nb6 O16'
_space_group_IT_number           5
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 97.61
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   22.339
_cell_length_b                   3.775
_cell_length_c                   7.249
_cell_volume                     605.922
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Busch_ZAACAB_1994_1596.cif
_cod_data_source_block           Nb6O16U1
_cod_original_cell_volume        605.9221
_cod_original_formula_sum        'Nb6 O16 U1'
_cod_database_code               1535738
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
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
O8 O-2 0.1783 0.131 0.098 0.5 0.0
Nb3 Nb+4 0.3641 0.9995 0.0862 1 0.0
U1 U+4 0 0 0 1 0.0
O3 O-2 0.3587 0.492 0.5731 1 0.0
O2 O-2 0.4213 0 0.3837 1 0.0
O4 O-2 0.5139 0.495 0.3295 1 0.0
Nb1 Nb+4 0.2221 0.9994 0.3152 1 0.0
O9 O-2 0.1794 0.67 0.114 0.5 0.0
O5 O-2 0.2347 0.5 0.4083 1 0.0
O1 O-2 0.4412 0.995 0.9755 1 0.0
O7 O-2 0.2977 0.987 0.2267 1 0.0
O6 O-2 0.3946 0.498 0.1711 1 0.0
Nb2 Nb+4 0.0742 0.9997 0.5383 1 0.0
