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data_100446-ICSD
_database_code_ICSD                100446
_audit_creation_date               '1984-10-29 00:00:00'
_chemical_name_systematic          'Cobalt hydroxide arsenate'
_chemical_formula_structural       'Co2 (O H) As O4'
_chemical_formula_sum              'H1 As1 Co2 O5'
_publ_section_title                'H1 As1 Co2 O5'
loop_
_citation_id
_citation_journal_abbrev
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Neues Jahrbuch fuer Mineralogie. Abhandlungen (Band-Nr) (1950-)' 1979 134 147 156 NJMIAK
loop_
_publ_author_name
'Keller, P.;Hess, H.;Zettler, F.'
_cell_length_a                     8.286(2)
_cell_length_b                     8.594(2)
_cell_length_c                     6.051(1)
_cell_angle_alpha                  90.
_cell_angle_beta                   90.
_cell_angle_gamma                  90.
_cell_volume                       430.89
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P n n m'
_symmetry_Int_Tables_number        58
_refine_ls_R_factor_all            0.046000
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
  1     'x+1/2, -y+1/2, z+1/2'
  2     '-x+1/2, y+1/2, z+1/2'
  3     'x, y, -z'
  4     '-x, -y, -z'
  5     '-x+1/2, y+1/2, -z+1/2'
  6     'x+1/2, -y+1/2, -z+1/2'
  7     '-x, -y, z'
  8     'x, y, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Co2+     2
As5+     5
O2-     -2
H1+     1
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_B_iso_or_equiv
_atom_site_occupancy
Co1 Co2+ 4 e 0 0 0.2466(5) 0.57 1.
Co2 Co2+ 4 g 0.3644(3) 0.1346(3) 0.5 0.57 1.
As1 As5+ 4 g 0.2475(3) 0.2551(3) 0 0.54 1.
O1 O2- 4 g 0.3910(15) 0.3720(16) 0.5 0.73 1.
O2 O2- 4 g 0.4520(13) 0.3518(15) 0 0.75 1.
O3 O2- 4 g 0.1012(14) 0.3932(14) 0 0.89 1.
O4 O2- 8 h 0.2299(9) 0.1392(10) 0.2243(12) 0.77 1.
H1 H1+ 4 g    0. 1.
#End of data_100446-ICSD
2Â¥2007-12-18 23:56:01
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