#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/12/1541203.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_1541203
loop_
_publ_author_name
'Mao, J.-G.'
'Zhuang, H.-H.'
'Huang, J.-S.'
_publ_section_title
;
 Preparation and crystal structure of Pr Nb5 O14
;
_journal_name_full               'Jiegon Huaxue'
_journal_page_first              35
_journal_page_last               39
_journal_volume                  15
_journal_year                    1996
_chemical_formula_sum            'Nb5 O14 Pr'
_chemical_name_systematic        'Pr (Nb5 O14)'
_space_group_IT_number           59
_symmetry_space_group_name_Hall  '-P 2ab 2a'
_symmetry_space_group_name_H-M   'P m m n :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.758
_cell_length_b                   20.092
_cell_length_c                   6.241
_cell_volume                     972.808
_citation_journal_id_ASTM        JHUADF
_cod_data_source_file            Mao_JHUADF_1996_1746.cif
_cod_data_source_block           Nb5O14Pr1
_cod_original_formula_sum        'Nb5 O14 Pr1'
_cod_database_code               1541203
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y+1/2,z
x+1/2,-y,-z
-x,y+1/2,-z
-x,-y,-z
x-1/2,y-1/2,-z
-x-1/2,y,z
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
O2 O-2 0.986 0.25 0.151 1 0.0
O3 O-2 0.002 -0.1528 0.615 1 0.0
O5 O-2 0.75 0.1347 0.084 1 0.0
O11 O-2 0.75 0.0708 -0.342 1 0.0
O7 O-2 0.25 0.25 0.493 1 0.0
Nb3 Nb+5 0.9988 0.25 0.5024 1 0.0
O1 O-2 0.015 0.0668 -0.076 1 0.0
O6 O-2 0.996 0.1843 -0.238 1 0.0
Nb1 Nb+5 0.0015 -0.07724 0.4111 1 0.0
Pr1 Pr+3 0.75 0.01009 0.0369 1 0.0
O10 O-2 0.969 0.027 0.332 1 0.0
O4 O-2 0.75 0.25 0.496 1 0.0
O8 O-2 0.25 0.1487 0.084 1 0.0
Nb2 Nb+5 0.0012 0.15628 0.0525 1 0.0
O9 O-2 0.75 -0.0757 0.386 1 0.0
