#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/1/1007149.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_1007149
_chemical_name_systematic          'Bismut phosphate - high-temperature phase'
_chemical_formula_structural       'Bi P O4'
_chemical_formula_sum              'Bi O4 P'
_publ_section_title
;
Etude structurale de la forme haute temperature du monophosphate de
bismuth Bi P O~4~
;
loop_
_publ_author_name
  'Masse, R'
  'Durif, A'
_journal_name_full
;
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences,
Serie 2 (1984-1993)
;
_journal_coden_ASTM                CRAMED
_journal_volume                    300
_journal_year                      1985
_journal_page_first                849
_journal_page_last                 851
_cell_length_a                     4.871(3)
_cell_length_b                     7.073(3)
_cell_length_c                     4.709(3)
_cell_angle_alpha                  90
_cell_angle_beta                   96.24(8)
_cell_angle_gamma                  90
_cell_volume                       161.3
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P 1 21/m 1'
_symmetry_Int_Tables_number        11
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,1/2+y,-z'
  '-x,-y,-z'
  'x,1/2-y,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+   2 e 0.14343(9) 0.25 0.16750(9) 1.  0 d
  P1    P5+    2 e 0.3736(6) 0.75 0.3042(6) 1.  0 d
  O1    O2-    2 e 0.678(2) 0.75 0.230(2) 1.  0 d
  O2    O2-    2 e 0.599(2) 0.25 0.368(2) 1.  0 d
  O3    O2-    4 f 0.208(1) 0.579(1) 0.174(2) 1.  0 d
_refine_ls_R_factor_all            0.037