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#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1008371.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_1008371
_chemical_name_systematic          'Dibismuth tetraphosphate'
_chemical_formula_structural       'Bi2 P4 O13'
_chemical_formula_sum              'Bi2 O13 P4'
_publ_section_title
;
Crystal data and crystal structure of bismuth tetraphosphate Bi~2~ P~4~
O~13~
;
loop_
_publ_author_name
  'Bagieu-Beucher, M'
  'Averbuch-Pouchot, M-T'
_journal_name_full
;
Zeitschrift fuer Kristallographie (149,1979-)
;
_journal_coden_ASTM                ZEKRDZ
_journal_volume                    180
_journal_year                      1987
_journal_page_first                165
_journal_page_last                 170
_cell_length_a                     11.977(4)
_cell_length_b                     6.878(2)
_cell_length_c                     13.285(4)
_cell_angle_alpha                  90
_cell_angle_beta                   106.50(2)
_cell_angle_gamma                  90
_cell_volume                       1049.3
_cell_formula_units_Z              4
_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
  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 0.30323(3) 0.0004(1) 0.43853(2) 1.  0 d
  P1    P5+    8 f 0.2305(2) -0.0047(7) 0.1594(2) 1.  0 d
  P2    P5+    8 f 0.4898(3) 0.3581(5) 0.1372(2) 1.  0 d
  O1    O2-    8 f 0.2003(8) 0.493(2) 0.2261(5) 1.  0 d
  O2    O2-    8 f 0.7537(8) 0.320(1) 0.0979(6) 1.  0 d
  O3    O2-    8 f 0.2499(8) 0.173(2) 0.0983(6) 1.  0 d
  O4    O2-    8 f 0.0959(7) -0.002(2) 0.1531(6) 1.  0 d
  O5    O2-    8 f 0.6135(7) 0.493(2) 0.3940(6) 1.  0 d
  O6    O2-    8 f 0.5033(8) 0.194(1) 0.4339(7) 1.  0 d
  O7    O2-    4 ? 0.5 0.269(2) 0.25 1.  0 d
_refine_ls_R_factor_all            0.05