The compound described by RbWNi(OF)3 crystallizes in the monoclinic C2 space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a distorted T-shaped geometry to one F(1) and two equivalent F(2) atoms. In the second Rb site, Rb(1) is bonded in a distorted T-shaped geometry to one F(1) and two equivalent F(2) atoms. W(1) is bonded to two O(1,1); two O(2,2); and two F(2,2) atoms to form WO4F2 octahedra that share corners with two equivalent W(1)O4F2 octahedra and corners with four equivalent Ni(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 34-50°. Ni(1) is bonded to two O(2,2); two F(1,1); and two F(2,2) atoms to form NiO2F4 octahedra that share corners with two equivalent Ni(1)O2F4 octahedra and corners with four equivalent W(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 34-50°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent W(1) atoms. In the second O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent W(1) atoms. In the third O site, O(2) is bonded in a bent 150 degrees geometry to one W(1) and one Ni(1) atom. In the fourth O site, O(2) is bonded in a bent 150 degrees geometry to one W(1) and one Ni(1) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Rb(1) and two equivalent Ni(1) atoms. In the second F site, F(1) is bonded in a distorted trigonal planar geometry to one Rb(1) and two equivalent Ni(1) atoms. In the third F site, F(2) is bonded in a distorted trigonal planar geometry to one Rb(1), one W(1), and one Ni(1) atom. In the fourth F site, F(2) is bonded in a distorted trigonal planar geometry to one Rb(1), one W(1), and one Ni(1) atom. is represented by the CIF file [CIF]
data_RbNiW(OF)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.347
_cell_length_b   7.348
_cell_length_c   7.393
_cell_angle_alpha   118.581
_cell_angle_beta   61.423
_cell_angle_gamma   88.412
_symmetry_Int_Tables_number   1
_cell_volume   290.238
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Rb  Rb0  1  0.638  0.137  0.750  1.0
  Rb  Rb1  1  0.363  0.863  0.250  1.0
  Ni  Ni2  1  1.000  0.500  0.001  1.0
  Ni  Ni3  1  0.000  0.500  0.499  1.0
  W  W4  1  1.000  1.000  1.000  1.0
  W  W5  1  0.500  0.500  0.500  1.0
  O  O6  1  0.304  0.804  0.750  1.0
  O  O7  1  0.696  0.196  0.250  1.0
  O  O8  1  0.311  0.433  0.398  1.0
  O  O9  1  0.933  0.811  0.102  1.0
  O  O10  1  0.689  0.567  0.602  1.0
  O  O11  1  0.066  0.189  0.898  1.0
  F  F12  1  0.080  0.579  0.250  1.0
  F  F13  1  0.921  0.421  0.750  1.0
  F  F14  1  0.921  0.845  0.754  1.0
  F  F15  1  0.655  0.579  0.254  1.0
  F  F16  1  0.345  0.421  0.746  1.0
  F  F17  1  0.079  0.155  0.246  1.0
[/CIF]
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The compound described by RbWNi(OF)3 crystallizes in the monoclinic C2 space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a distorted T-shaped geometry to one F(1) and two equivalent F(2) atoms. In the second Rb site, Rb(1) is bonded in a distorted T-shaped geometry to one F(1) and two equivalent F(2) atoms. W(1) is bonded to two O(1,1); two O(2,2); and two F(2,2) atoms to form WO4F2 octahedra that share corners with two equivalent W(1)O4F2 octahedra and corners with four equivalent Ni(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 34-50°. Ni(1) is bonded to two O(2,2); two F(1,1); and two F(2,2) atoms to form NiO2F4 octahedra that share corners with two equivalent Ni(1)O2F4 octahedra and corners with four equivalent W(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 34-50°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent W(1) atoms. In the second O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent W(1) atoms. In the third O site, O(2) is bonded in a bent 150 degrees geometry to one W(1) and one Ni(1) atom. In the fourth O site, O(2) is bonded in a bent 150 degrees geometry to one W(1) and one Ni(1) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Rb(1) and two equivalent Ni(1) atoms. In the second F site, F(1) is bonded in a distorted trigonal planar geometry to one Rb(1) and two equivalent Ni(1) atoms. In the third F site, F(2) is bonded in a distorted trigonal planar geometry to one Rb(1), one W(1), and one Ni(1) atom. In the fourth F site, F(2) is bonded in a distorted trigonal planar geometry to one Rb(1), one W(1), and one Ni(1) atom. is represented by the CIF file [CIF]
data_RbNiW(OF)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.347
_cell_length_b   7.348
_cell_length_c   7.393
_cell_angle_alpha   118.581
_cell_angle_beta   61.423
_cell_angle_gamma   88.412
_symmetry_Int_Tables_number   1
_cell_volume   290.238
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Rb  Rb0  1  0.638  0.137  0.750  1.0
  Rb  Rb1  1  0.363  0.863  0.250  1.0
  Ni  Ni2  1  1.000  0.500  0.001  1.0
  Ni  Ni3  1  0.000  0.500  0.499  1.0
  W  W4  1  1.000  1.000  1.000  1.0
  W  W5  1  0.500  0.500  0.500  1.0
  O  O6  1  0.304  0.804  0.750  1.0
  O  O7  1  0.696  0.196  0.250  1.0
  O  O8  1  0.311  0.433  0.398  1.0
  O  O9  1  0.933  0.811  0.102  1.0
  O  O10  1  0.689  0.567  0.602  1.0
  O  O11  1  0.066  0.189  0.898  1.0
  F  F12  1  0.080  0.579  0.250  1.0
  F  F13  1  0.921  0.421  0.750  1.0
  F  F14  1  0.921  0.845  0.754  1.0
  F  F15  1  0.655  0.579  0.254  1.0
  F  F16  1  0.345  0.421  0.746  1.0
  F  F17  1  0.079  0.155  0.246  1.0
[/CIF]
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