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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/07/1530739.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_1530739
loop_
_publ_author_name
'Serafin, M.'
'Hoppe, R.'
_publ_section_title
;
 Zur Kenntnis von Rb Nb O3 - ein Metaniobat mit Pyrgomstruktur
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              299
_journal_page_last               316
_journal_volume                  76
_journal_year                    1980
_chemical_formula_sum            'Nb O3 Rb'
_chemical_name_systematic        'Rb Nb O3'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                94.6
_cell_angle_beta                 93.53
_cell_angle_gamma                113.83
_cell_formula_units_Z            4
_cell_length_a                   8.882
_cell_length_b                   8.395
_cell_length_c                   5.109
_cell_volume                     345.501
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Serafin_JCOMAH_1980_598.cif
_cod_data_source_block           Nb1O3Rb1
_cod_original_cell_volume        345.5007
_cod_original_formula_sum        'Nb1 O3 Rb1'
_cod_database_code               1530739
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
O5 O-2 0.317 0.891 0.594 1 0.0
O3 O-2 0.273 0.22 0.712 1 0.0
Rb2 Rb+1 0.5 0.5 0.5 1 0.0
Nb1 Nb+5 0.1441 0.2147 -0.0029 1 0.0
Rb1 Rb+1 0 0.5 0.5 1 0.0
O6 O-2 0.23 0.438 0.147 1 0.0
O2 O-2 -0.009 0.073 0.262 1 0.0
Nb2 Nb+5 0.8129 0.0113 0.5302 1 0.0
O1 O-2 0.296 0.121 0.197 1 0.0
Rb3 Rb+1 0.4026 0.7958 0.0844 1 0.0
O4 O-2 0.044 0.781 0.218 1 0.0
