#------------------------------------------------------------------------------
#$Date: 2023-09-08 10:15:17 +0300 (Fri, 08 Sep 2023) $
#$Revision: 286274 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/98/1569839.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_1569839
_publ_author_name                'Boughzala, H. Jouini, T.'
_publ_section_title
;
 Preparation et structure cristalline d'un nouveau bis-diphosphate de
 bismuth et de sodium Na5 Bi (P2 O7)2
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              104
_journal_volume                  143
_journal_year                    1999
_chemical_formula_structural     'Na5 Bi (P2 O7)2'
_chemical_formula_sum            'Bi Na5 O14 P4'
_chemical_name_systematic
;
Pentasodium Bismuth Bis(diphosphate(V))
;
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             2000/07/15
_audit_update_record             2006/04/01
_cell_angle_alpha                77.73(2)
_cell_angle_beta                 109.21(3)
_cell_angle_gamma                97.92(2)
_cell_formula_units_Z            2
_cell_length_a                   9.276(3)
_cell_length_b                   9.806(3)
_cell_length_c                   7.272(1)
_cell_volume                     608.7(3)
_refine_ls_R_factor_all          0.0167
_cod_data_source_file            Na5BiP2O72.cif
_cod_data_source_block           50610-ICSD
_cod_original_cell_volume        608.71
_cod_original_formula_sum        'Bi1 Na5 O14 P4'
_cod_database_code               1569839
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 '-x, -y, -z'
2 'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
P1 P 2 i 0.3399(1) 0.0534(1) 0.5844(1) 1. 0
P2 P 2 i 0.1371(1) 0.0352(1) 0.8175(1) 1. 0
P3 P 2 i 0.3441(1) 0.5448(1) 0.0943(1) 1. 0
P4 P 2 i 0.1093(1) 0.5501(1) 0.2818(1) 1. 0
Bi1 Bi3+ 2 i 0.1290(1) 0.2339(1) 0.1260(1) 1. 0
Na1 Na1+ 2 i 0.5278(2) 0.3343(2) 0.4289(3) 1. 0
Na2 Na1+ 2 i -.1461(2) 0.2644(2) 0.3529(2) 1. 0
Na3 Na1+ 2 i 0.5154(2) 0.1606(2) 1.0621(2) 1. 0
Na4 Na1+ 2 i 0.2654(2) -.1233(2) 0.2452(2) 1. 0
Na5 Na1+ 2 i 0.2656(2) 0.3974(2) 0.7153(2) 1. 0
O1 O2- 2 i 0.3298(3) -.0992(3) 0.5758(4) 1. 0
O2 O2- 2 i 0.4744(3) 0.0951(3) 0.7510(4) 1. 0
O3 O2- 2 i 0.3305(3) 0.1486(3) 0.3843(4) 1. 0
O4 O2- 2 i 0.1835(3) 0.0891(3) 0.6182(4) 1. 0
O5 O2- 2 i -.0298(3) 0.0525(3) 0.7688(4) 1. 0
O6 O2- 2 i 0.1798(3) -.1138(3) 0.8955(4) 1. 0
O7 O2- 2 i 0.2375(3) 0.1338(3) 0.9608(4) 1. 0
O8 O2- 2 i 0.4738(3) 0.5810(3) 0.2686(4) 1. 0
O9 O2- 2 i 0.3519(3) 0.6170(3) -.1060(4) 1. 0
O10 O2- 2 i 0.3219(3) 0.3834(3) 0.1094(4) 1. 0
O11 O2- 2 i 0.1862(3) 0.5911(3) 0.1067(4) 1. 0
O12 O2- 2 i 0.2139(3) 0.6120(3) 0.4544(4) 1. 0
O13 O2- 2 i -.0421(3) 0.6173(3) 0.1899(4) 1. 0
O14 O2- 2 i 0.0904(3) 0.3908(3) 0.3297(4) 1. 0
loop_
_atom_type_symbol
_atom_type_oxidation_number
Bi3+ 3
Na1+ 1
O2- -2
P5+ 5
loop_
_citation_id
_citation_journal_abbrev
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Journal of Solid State Chemistry' 1999 143 104 110 JSSCBI
