#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/72/1007260.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
loop_
_publ_author_name
'Masse, R'
'Durif, A'
_publ_section_title
;
Structure of tribarium dibismuth tetrakis(phosphate)
;
_journal_coden_ASTM              ACSCEE
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              1717
_journal_page_last               1718
_journal_volume                  41
_journal_year                    1985
_chemical_formula_structural     'Ba3 Bi2 (P O4)4'
_chemical_formula_sum            'Ba3 Bi2 O16 P4'
_chemical_name_systematic        'Tribarium dibismuth tetrakis(phosphate(V))'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 109.98(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   20.297990000(19999998)
_cell_length_b                   8.730(3)
_cell_length_c                   8.766(3)
_cell_volume                     1459.9
_exptl_crystal_density_meas      5.5
_refine_ls_R_factor_all          0.038
_cod_database_code               1007260
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_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
loop_
_atom_type_symbol
_atom_type_oxidation_number
Bi3+ 3.000
Ba2+ 2.000
P5+ 5.000
O2- -2.000
