data_2005340
_journal_name_full  'Acta Crystallography'
_journal_year       1996
_publ_section_title
;
The Hydrogen-Bonding System in Deuterated Copper
Flurosilicate Tetrahydrate: a Neutron Diffraction Study
;
_chemical_formula_iupac  'Cu Si F6 , 4D2 O'
_chemical_formula_moiety  'Cu F6 Si , 4D2 O '
_chemical_formula_sum  'Cu D8 F6 Si O4'
_chemical_formula_weight  285.7
_symmetry_cell_setting  monoclinic
loop_
_symmetry_equiv_pos_as_xyz
 'x,y,z'
 '-x,-y,-z'
 '-x,1/2+y,1/2-z'
 'x,1/2-y,1/2+z'
_symmetry_space_group_name_H-M  'P 21/c'
_cell_length_a  5.33(2)
_cell_length_b  9.60(5)
_cell_length_c  7.18(5)
_cell_angle_alpha  90.00000
_cell_angle_beta  105.16(1)
_cell_angle_gamma  90.00000
_cell_volume  354.3(81)
_cell_formula_units_Z  2
_exptl_crystal_density_diffrn  2.679
_cell_measurement_temperature  296
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
 Cu 0.0000 0.0000 0.0000 0.0176(9)
 Si 0.5000 0.0000 0.5000 0.0083(13)
 F1 0.7311(7) 0.1050(4) 0.4529(6) 0.0274(11)
 F2 0.3893(8) 0.1334(4) 0.6110(5) 0.0255(10)
 F3 0.2981(7) 0.0471(4) 0.2921(5) 0.0305(11)
 O1 0.1260(8) 0.1582(5) -0.1203(7) 0.0257(12)
 O2 -0.2393(7) 0.1269(5) 0.0790(7) 0.0236(12)
 D11 0.2204(10) 0.1406(5) -0.2153(8) 0.0361(15)
 D12 0.2198(11) 0.2301(6) -0.0398(8) 0.0414(17)
 D21 -0.2500(10) 0.1226(5) 0.2092(10) 0.0364(15)
 D22 -0.2427(10) 0.2232(5) 0.0437(7) 0.0336(16)