#------------------------------------------------------------------------------
#$Date: 2015-01-27 20:58:39 +0100 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/2/00/23/2002338.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_2002338
loop_
_publ_author_name
'Jasper-Toennies, B'
'Mueller-Buschbaum, Hk'
_publ_section_title
;
Synthese und Struktur eines Hochtemperatur-Cobaltarsenats(V): H-Co3 (As
O4)2
;
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first              161
_journal_page_last               166
_journal_paper_doi               10.1002/zaac.19845171015
_journal_volume                  517
_journal_year                    1984
_chemical_formula_structural     'Co3 (As O4)2'
_chemical_formula_sum            'As2 Co3 O8'
_chemical_name_systematic        'Tricobalt arsenate(V) - HT'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.73(15)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.4574(6)
_cell_length_b                   8.5096(24)
_cell_length_c                   11.1867(10)
_cell_volume                     614.7
_refine_ls_R_factor_all          0.065
_cod_database_code               2002338
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,1/2+y,1/2-z
-x,-y,-z
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
Co1 Co2+ 4 e 0.2411(4) 0.1664(3) 0.6395(2) 1. 0 d
Co2 Co2+ 4 e 0.6104(3) 0.0560(3) 0.8742(2) 1. 0 d
Co3 Co2+ 4 e 0.8894(3) 0.1694(3) 0.4445(2) 1. 0 d
As1 As5+ 4 e 0.3906(3) 0.0863(2) 0.3658(2) 1. 0 d
As2 As5+ 4 e 0.8969(2) 0.0460(2) 0.1448(1) 1. 0 d
O1 O2- 4 e 0.571(2) 0.214(2) 0.422(1) 1. 0 d
O2 O2- 4 e 0.963(2) 0.227(2) 0.102(1) 1. 0 d
O3 O2- 4 e 0.199(2) 0.070(1) 0.470(1) 1. 0 d
O4 O2- 4 e 0.075(2) 0.901(1) 0.117(1) 1. 0 d
O5 O2- 4 e 0.296(2) 0.142(2) 0.234(1) 1. 0 d
O6 O2- 4 e 0.676(2) 0.997(2) 0.070(1) 1. 0 d
O7 O2- 4 e 0.472(2) 0.910(2) 0.325(1) 1. 0 d
O8 O2- 4 e 0.862(2) 0.041(2) 0.292(1) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Co2+ 2.000
As5+ 5.000
O2- -2.000
