#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/13/1001375.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_1001375
loop_
_publ_author_name
'Riou, D'
'Labbe, P'
'Goreaud, M'
_publ_section_title
;
Les pyrophosphates A(II)ₓ M P₂ O₇: Synthese et etude structurale
de Ba Co P₂ O₇ et Ba Ni P₂ O₇
;
_journal_coden_ASTM              CHDCAQ
_journal_name_full
;
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences,
Serie C, Sciences Chimiques (1966-)
;
_journal_page_first              903
_journal_page_last               907
_journal_volume                  307
_journal_year                    1988
_chemical_formula_structural     'Ba Co P2 O7'
_chemical_formula_sum            'Ba Co O7 P2'
_chemical_name_systematic        'Barium cobalt diphosphate'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                101.217(4)
_cell_angle_beta                 84.191(8)
_cell_angle_gamma                89.319(8)
_cell_formula_units_Z            2
_cell_length_a                   5.3230(6)
_cell_length_b                   7.5799(4)
_cell_length_c                   7.1174(3)
_cell_volume                     280.1
_refine_ls_R_factor_all          0.04
_cod_database_code               1001375
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-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
Ba1 Ba2+ 2 i 0.2135(1) 0.06964(6) 0.22740(7) 1. 0 d
Co1 Co2+ 2 i 0.1983(2) 0.6043(2) 0.3744(3) 1. 0 d
P1 P5+ 2 i 0.7096(4) 0.4047(3) 0.1849(4) 1. 0 d
P2 P5+ 2 i 0.7070(4) 0.7911(3) 0.2713(3) 1. 0 d
O1 O2- 2 i 0.933(1) 0.8033(7) 0.3895(8) 1. 0 d
O2 O2- 2 i 0.463(1) 0.7990(8) 0.3968(9) 1. 0 d
O3 O2- 2 i 0.715(1) 0.9313(8) 0.1503(8) 1. 0 d
O4 O2- 2 i 0.733(1) 0.5964(8) 0.1269(8) 1. 0 d
O5 O2- 2 i 0.103(1) 0.5941(8) 0.662(1) 1. 0 d
O6 O2- 2 i 0.778(2) 0.267(1) 0.007(2) 1. 0 d
O7 O2- 2 i 0.558(1) 0.6027(7) 0.727(1) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Ba2+ 2.000
Co2+ 2.000
P5+ 5.000
O2- -2.000
