data_1004092
_chemical_name_systematic          'Trisodium bismuth bis(phosphate) - $-beta'
_chemical_formula_structural       'Na3 Bi (P O4)2'
_chemical_formula_sum              'Bi Na3 O8 P2'
_publ_section_title
;
Order-disorder transition in Na~3~Bi(PO~4~)~2~
;
loop_
_publ_author_name
  'Mairesse, G'
  'Drache, M'
  'Nowogrocki, G'
  'Abraham, F'
_journal_name_full                 'Phase Transition'
_journal_coden_ASTM                PHTRDP
_journal_volume                    27
_journal_year                      1990
_journal_page_first                91
_journal_page_last                 105
_cell_length_a                     18.71(3)
_cell_length_b                     7.18(2)
_cell_length_c                     5.429(7)
_cell_angle_alpha                  90
_cell_angle_beta                   90.(7)
_cell_angle_gamma                  90
_cell_volume                       729.3
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P n a m'
_symmetry_Int_Tables_number        62
_symmetry_cell_setting             orthorhombic
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_type_symbol
_atom_type_oxidation_number
  Bi3+   3.000
  P5+    5.000
  Na1+   1.000
  O2-   -2.000
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_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_22
_atom_site_aniso_U_23
_atom_site_aniso_U_33
  Bi1   0.0412(4) 0.0018(3) 0. 0.0272(3) 0. 0.0687(6)
  P1    0.022(2) -0.002(1) 0. 0.030(2) 0. 0.040(2)
  P2    0.025(2) -0.001(1) 0. 0.028(2) 0. 0.030(2)
  Na1   0.062(6) -0.006(4) 0. 0.053(5) 0. 0.081(7)
  Na2   0.061(6) 0.019(4) 0. 0.044(5) 0. 0.107(9)
  Na3   0.044(5) -0.001(4) 0. 0.084(7) 0. 0.078(7)
  O1    0.061(6) 0.014(5) -0.011(5) 0.056(5) 0.001(4) 0.033(5)
  O2    0.103(16) -0.002(8) 0. 0.042(8) 0. 0.077(13)
  O3    0.041(8) -0.033(8) 0. 0.074(12) 0. 0.106(14)
  O4    0.023(5) -0.004(26) 0. 0.047(7) 0. 0.08(1)
  O5    0.067(14) -0.029(12) 0.028(13) 0.080(15) 0.001(13) 0.066(15)
  O6    0.093(20) -0.008(14) -0.004(18) 0.079(18) 0.050(17) 0.092(22)
  O7    0.047(11) 0.011(10) 0.008(9) 0.072(13) -0.034(11) 0.075(18)
_refine_ls_R_factor_all            0.055