#------------------------------------------------------------------------------
#$Date: 2016-02-14 15:26:36 +0100 (Sun 14 de Feb de 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/70/1007053.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_1007053
loop_
_publ_author_name
'Boudjada, A'
'Durif, A'
'Guitel, J C'
_publ_section_title
;
Structure d'un Orthoarsenate Acide de Cadmium: Cd H₁₀ (As O₄)₄
;
_journal_coden_ASTM              ACBCAR
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              133
_journal_page_last               135
_journal_paper_doi               10.1107/S0567740880002609
_journal_volume                  36
_journal_year                    1980
_chemical_formula_structural     'Cd H10 (As O4)4'
_chemical_formula_sum            'As4 Cd H10 O16'
_chemical_name_systematic        'Cadmium decahydrogentetrakis(arsenate)'
_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                105.17(1)
_cell_angle_beta                 95.13(5)
_cell_angle_gamma                91.85(8)
_cell_formula_units_Z            1
_cell_length_a                   5.69(5)
_cell_length_b                   7.42(4)
_cell_length_c                   8.60(6)
_cell_volume                     348.4
_refine_ls_R_factor_all          0.056
_cod_original_formula_sum        'H10 As4 Cd O16'
_cod_database_code               1007053
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
As1 As5+ 2 i 0.13564(9) 0.45813(8) 0.25314(8) 1. 0 d
As2 As5+ 2 i 0.47588(9) 0.05485(8) 0.77083(8) 1. 0 d
Cd1 Cd2+ 1 a 0. 0. 0. 1. 0 d
O1 O2- 2 i 0.9380(7) 0.2825(5) 0.1742(6) 1. 0 d
O2 O2- 2 i 0.0145(7) 0.6667(5) 0.2889(6) 1. 0 d
O3 O2- 2 i 0.3550(7) 0.4726(5) 0.1332(5) 1. 0 d
O4 O2- 2 i 0.2613(7) 0.4465(6) 0.4372(6) 1. 0 d
O5 O2- 2 i 0.7661(6) 0.1547(5) 0.8017(5) 1. 0 d
O6 O2- 2 i 0.4186(7) 0.8219(6) 0.6921(6) 1. 0 d
O7 O2- 2 i 0.3253(6) 0.1312(5) 0.9283(5) 1. 0 d
O8 O2- 2 i 0.3840(7) 0.1594(6) 0.6214(5) 1. 0 d
H1 H1+ 2 i -1. -1. -1. 5. 0 dum
loop_
_atom_type_symbol
_atom_type_oxidation_number
As5+ 5.000
Cd2+ 2.000
O2- -2.000
H1+ 1.000
