#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1007260.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_1007260
_chemical_name_systematic          'Tribarium dibismuth tetrakis(phosphate(V))'
_chemical_formula_structural       'Ba3 Bi2 (P O4)4'
_chemical_formula_sum              'Ba3 Bi2 O16 P4'
_publ_section_title
;
Structure of tribarium dibismuth tetrakis(phosphate)
;
loop_
_publ_author_name
  'Masse, R'
  'Durif, A'
_journal_name_full                 'Acta Crystallographica C (39,1983-)'
_journal_coden_ASTM                ACSCEE
_journal_volume                    41
_journal_year                      1985
_journal_page_first                1717
_journal_page_last                 1718
_cell_length_a                     20.297990000(19999998)
_cell_length_b                     8.730(3)
_cell_length_c                     8.766(3)
_cell_angle_alpha                  90
_cell_angle_beta                   109.98(6)
_cell_angle_gamma                  90
_cell_volume                       1459.9
_cell_formula_units_Z              4
_exptl_crystal_density_meas        5.5
_symmetry_space_group_name_H-M     'C 1 2/c 1'
_symmetry_Int_Tables_number        15
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,y,1/2-z'
  '-x,-y,-z'
  'x,-y,1/2+z'
  '1/2+x,1/2+y,z'
  '1/2-x,1/2+y,1/2-z'
  '1/2-x,1/2-y,-z'
  '1/2+x,1/2-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Bi3+   3.000
  Ba2+   2.000
  P5+    5.000
  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+   8 f 0.08095(1) 0.44536(4) 0.18808(4) 1.  0 d
  Ba1   Ba2+   8 f 0.21676(2) 0.06266(6) 0.27532(6) 1.  0 d
  Ba2   Ba2+   4 e 0. 0.94447(9) 0.25 1.  0 d
  P1    P5+    8 f 0.3888(1) 0.7111(3) 0.0090(3) 1.  0 d
  P2    P5+    8 f 0.3553(1) 0.1930(3) 0.0499(3) 1.  0 d
  O1    O2-    8 f 0.3091(4) 0.7065(10) 0.9233(10) 1.  0 d
  O2    O2-    8 f 0.0787(4) 0.6291(9) 0.0024(10) 1.  0 d
  O3    O2-    8 f 0.4263(4) 0.4146(9) 0.4513(9) 1.  0 d
  O4    O2-    8 f 0.4046(4) 0.3050(8) 0.6959(8) 1.  0 d
  O5    O2-    8 f 0.3304(3) 0.0692(8) 0.1471(8) 1.  0 d
  O6    O2-    8 f 0.1706(3) 0.3567(8) 0.1327(7) 1.  0 d
  O7    O2-    8 f 0.3277(5) 0.3497(9) 0.0613(9) 1.  0 d
  O8    O2-    8 f 0.4351(4) 0.1803(10) 0.1037(10) 1.  0 d
_refine_ls_R_factor_all            0.038