The structure described by Rb2MgTi2Zn2(OF5)2 crystallizes in the monoclinic C2/m space group. Rb(1) is bonded in a 6-coordinate geometry to one O(1), one F(2), two equivalent F(1), and two equivalent F(3) atoms. Mg(1) is bonded in a square co-planar geometry to four equivalent F(1) atoms. Ti(1) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(3) atoms to form TiO2F4 octahedra that share corners with two equivalent Ti(1)O2F4 octahedra and corners with two equivalent Zn(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 40-44°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a distorted square co-planar geometry to two equivalent O(1) and two equivalent F(2) atoms. In the second Zn site, Zn(2) is bonded to two equivalent F(2) and four equivalent F(3) atoms to form ZnF6 octahedra that share corners with four equivalent Ti(1)O2F4 octahedra. The corner-sharing octahedral tilt angles are 44°. O(1) is bonded in a 4-coordinate geometry to one Rb(1), two equivalent Ti(1), and one Zn(1) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 120 degrees geometry to one Rb(1), one Mg(1), and one Ti(1) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Rb(1), one Zn(1), and one Zn(2) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Rb(1), one Ti(1), and one Zn(2) atom. is represented by the CIF card [CIF]
data_Rb2MgTi2Zn2(OF5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.040
_cell_length_b   7.318
_cell_length_c   7.040
_cell_angle_alpha   66.192
_cell_angle_beta   62.520
_cell_angle_gamma   66.192
_symmetry_Int_Tables_number   1
_cell_volume   283.614
_cell_formula_units_Z   1
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  0.322  0.511  0.322  1.0
  Rb  Rb1  1  0.678  0.489  0.678  1.0
  Mg  Mg2  1  0.500  0.000  0.500  1.0
  Ti  Ti3  1  0.000  0.000  0.500  1.0
  Ti  Ti4  1  0.500  0.000  0.000  1.0
  Zn  Zn5  1  0.000  0.000  0.000  1.0
  Zn  Zn6  1  0.000  0.500  0.000  1.0
  O  O7  1  0.210  0.960  0.210  1.0
  O  O8  1  0.790  0.040  0.790  1.0
  F  F9  1  0.191  0.116  0.559  1.0
  F  F10  1  0.072  0.700  0.072  1.0
  F  F11  1  0.102  0.688  0.665  1.0
  F  F12  1  0.559  0.116  0.191  1.0
  F  F13  1  0.335  0.312  0.898  1.0
  F  F14  1  0.665  0.688  0.102  1.0
  F  F15  1  0.441  0.884  0.809  1.0
  F  F16  1  0.898  0.312  0.335  1.0
  F  F17  1  0.809  0.884  0.441  1.0
  F  F18  1  0.928  0.300  0.928  1.0
[/CIF]
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The structure described by Rb2MgTi2Zn2(OF5)2 crystallizes in the monoclinic C2/m space group. Rb(1) is bonded in a 6-coordinate geometry to one O(1), one F(2), two equivalent F(1), and two equivalent F(3) atoms. Mg(1) is bonded in a square co-planar geometry to four equivalent F(1) atoms. Ti(1) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(3) atoms to form TiO2F4 octahedra that share corners with two equivalent Ti(1)O2F4 octahedra and corners with two equivalent Zn(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 40-44°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a distorted square co-planar geometry to two equivalent O(1) and two equivalent F(2) atoms. In the second Zn site, Zn(2) is bonded to two equivalent F(2) and four equivalent F(3) atoms to form ZnF6 octahedra that share corners with four equivalent Ti(1)O2F4 octahedra. The corner-sharing octahedral tilt angles are 44°. O(1) is bonded in a 4-coordinate geometry to one Rb(1), two equivalent Ti(1), and one Zn(1) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 120 degrees geometry to one Rb(1), one Mg(1), and one Ti(1) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Rb(1), one Zn(1), and one Zn(2) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Rb(1), one Ti(1), and one Zn(2) atom. is represented by the CIF card [CIF]
data_Rb2MgTi2Zn2(OF5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.040
_cell_length_b   7.318
_cell_length_c   7.040
_cell_angle_alpha   66.192
_cell_angle_beta   62.520
_cell_angle_gamma   66.192
_symmetry_Int_Tables_number   1
_cell_volume   283.614
_cell_formula_units_Z   1
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  0.322  0.511  0.322  1.0
  Rb  Rb1  1  0.678  0.489  0.678  1.0
  Mg  Mg2  1  0.500  0.000  0.500  1.0
  Ti  Ti3  1  0.000  0.000  0.500  1.0
  Ti  Ti4  1  0.500  0.000  0.000  1.0
  Zn  Zn5  1  0.000  0.000  0.000  1.0
  Zn  Zn6  1  0.000  0.500  0.000  1.0
  O  O7  1  0.210  0.960  0.210  1.0
  O  O8  1  0.790  0.040  0.790  1.0
  F  F9  1  0.191  0.116  0.559  1.0
  F  F10  1  0.072  0.700  0.072  1.0
  F  F11  1  0.102  0.688  0.665  1.0
  F  F12  1  0.559  0.116  0.191  1.0
  F  F13  1  0.335  0.312  0.898  1.0
  F  F14  1  0.665  0.688  0.102  1.0
  F  F15  1  0.441  0.884  0.809  1.0
  F  F16  1  0.898  0.312  0.335  1.0
  F  F17  1  0.809  0.884  0.441  1.0
  F  F18  1  0.928  0.300  0.928  1.0
[/CIF]
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