#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/40/1004092.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_1004092
loop_
_publ_author_name
'Mairesse, G'
'Drache, M'
'Nowogrocki, G'
'Abraham, F'
_publ_section_title
;
Order-disorder transition in Na₃Bi(PO₄)₂
;
_journal_coden_ASTM              PHTRDP
_journal_name_full               'Phase Transition'
_journal_page_first              91
_journal_page_last               105
_journal_paper_doi               10.1080/01411599008206903
_journal_volume                  27
_journal_year                    1990
_chemical_formula_structural     'Na3 Bi (P O4)2'
_chemical_formula_sum            'Bi Na3 O8 P2'
_chemical_name_systematic        'Trisodium bismuth bis(phosphate) - $-beta'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90.(7)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.71(3)
_cell_length_b                   7.18(2)
_cell_length_c                   5.429(7)
_cell_volume                     729.3
_refine_ls_R_factor_all          0.055
_cod_database_code               1004092
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2-y,1/2-z
-x,-y,1/2+z
1/2-x,1/2+y,-z
-x,-y,-z
1/2-x,1/2+y,1/2+z
x,y,1/2-z
1/2+x,1/2-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
_atom_site_calc_flag
Bi1 Bi3+ 4 c 0.11815(4) 0.03270(9) 0.25 1. 0 d
P1 P5+ 4 c 0.2913(2) 0.2866(6) 0.25 1. 0 d
P2 P5+ 4 c 0.4621(2) 0.7070(5) 0.25 1. 0 d
Na1 Na1+ 4 c 0.4609(5) 0.1606(14) 0.25 1. 0 d
Na2 Na1+ 4 c 0.1365(6) 0.5266(13) 0.25 1. 0 d
Na3 Na1+ 4 c 0.2993(5) 0.8049(15) 0.25 1. 0 d
O1 O2- 8 d 0.4206(5) 0.7709(14) 0.0230(16) 1. 0 d
O2 O2- 4 c 0.4673(12) 0.4953(22) 0.25 1. 0 d
O3 O2- 4 c 0.5354(8) 0.7921(23) 0.25 1. 0 d
O4 O2- 4 c 0.2101(6) 0.2474(19) 0.25 1. 0 d
O5 O2- 8 d 0.3112(13) 0.3230(36) -0.0245(46) 0.5 0 d
O6 O2- 8 d 0.3036(16) 0.4564(37) 0.1044(62) 0.5 0 d
O7 O2- 8 d 0.3338(10) 0.130(3) 0.1619(40) 0.5 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Bi3+ 3.000
P5+ 5.000
Na1+ 1.000
O2- -2.000
