#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/14/1001466.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_1001466
loop_
_publ_author_name
'Riou, D'
'Raveau, B'
_publ_section_title              'Structure of SrCoP₂O₇'
_journal_coden_ASTM              ACSCEE
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              1708
_journal_page_last               1709
_journal_volume                  47
_journal_year                    1991
_chemical_formula_structural     'Sr Co (P2 O7)'
_chemical_formula_sum            'Co O7 P2 Sr'
_chemical_name_systematic        'Strontium cobalt diphosphate'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.133(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.3165(4)
_cell_length_b                   8.2574(5)
_cell_length_c                   12.6755(7)
_cell_volume                     556.5
_refine_ls_R_factor_all          0.041
_cod_database_code               1001466
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2-y,1/2+z
-x,-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
Sr1 Sr2+ 4 e 0.2851(2) 0.3392(1) 0.27851(7) 1. 0 d
Co1 Co2+ 4 e 0.8190(2) 0.1479(2) 0.10681(9) 1. 0 d
P1 P5+ 4 e 0.7484(4) 0.5354(3) 0.1652(2) 1. 0 d
P2 P5+ 4 e 0.3138(4) 0.1997(3) 0.9810(2) 1. 0 d
O1 O2- 4 e 0.677(1) 0.3597(7) 0.1523(5) 1. 0 d
O2 O2- 4 e 0.668(1) 0.4018(8) 0.4007(5) 1. 0 d
O3 O2- 4 e 0.949(1) 0.1188(7) 0.2663(5) 1. 0 d
O4 O2- 4 e 0.767(1) 0.1133(8) 0.4509(5) 1. 0 d
O5 O2- 4 e 0.489(1) 0.0615(8) 0.2927(6) 1. 0 d
O6 O2- 4 e 0.093(1) 0.3338(9) 0.4728(5) 1. 0 d
O7 O2- 4 e 0.203(1) 0.1838(9) 0.0909(5) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Sr2+ 2.000
Co2+ 2.000
P5+ 5.000
O2- -2.000
