The compound described by Rb2MgTi2Zn2(OF5)2 crystallizes in the triclinic P1 space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 6-coordinate geometry to one F(10), one F(2), one F(4), one F(5), one F(6), and one F(7) atom. In the second Rb site, Rb(2) is bonded in a 6-coordinate geometry to one O(1), one F(2), one F(4), one F(6), one F(8), and one F(9) atom. Mg(1) is bonded in a 3-coordinate geometry to one F(10), one F(5), and one F(7) atom. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(2), one F(1), one F(3), one F(8), and one F(9) atom to form TiO2F4 octahedra that share corners with two equivalent Ti(2)O2F4 octahedra, corners with two equivalent Zn(1)F6 octahedra, and corners with two equivalent Zn(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 22-49°. In the second Ti site, Ti(2) is bonded to one O(1), one O(2), one F(4), one F(5), one F(6), and one F(7) atom to form TiO2F4 octahedra that share corners with two equivalent Ti(1)O2F4 octahedra, corners with two equivalent Zn(1)F6 octahedra, and corners with two equivalent Zn(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 22-48°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one F(1), one F(10), one F(2), one F(4), one F(7), and one F(9) atom to form ZnF6 octahedra that share corners with two equivalent Ti(1)O2F4 octahedra, corners with two equivalent Ti(2)O2F4 octahedra, and corners with two equivalent Zn(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 39-49°. In the second Zn site, Zn(2) is bonded to one F(10), one F(2), one F(3), one F(5), one F(6), and one F(8) atom to form ZnF6 octahedra that share corners with two equivalent Ti(1)O2F4 octahedra, corners with two equivalent Ti(2)O2F4 octahedra, and corners with two equivalent Zn(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 38-47°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Rb(2), one Ti(1), and one Ti(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Ti(1) and one Ti(2) atom. There are ten inequivalent F sites. In the first F site, F(1) is bonded in a 2-coordinate geometry to one Ti(1) and one Zn(1) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Rb(1), one Rb(2), one Zn(1), and one Zn(2) atom. In the third F site, F(3) is bonded in a distorted bent 150 degrees geometry to one Ti(1) and one Zn(2) atom. In the fourth F site, F(4) is bonded in a 4-coordinate geometry to one Rb(1), one Rb(2), one Ti(2), and one Zn(1) atom. In the fifth F site, F(5) is bonded in a 3-coordinate geometry to one Rb(1), one Mg(1), one Ti(2), and one Zn(2) atom. In the sixth F site, F(6) is bonded in a 4-coordinate geometry to one Rb(1), one Rb(2), one Ti(2), and one Zn(2) atom. In the seventh F site, F(7) is bonded in a 3-coordinate geometry to one Rb(1), one Mg(1), one Ti(2), and one Zn(1) atom. In the eighth F site, F(8) is bonded in a distorted bent 150 degrees geometry to one Rb(2), one Ti(1), and one Zn(2) atom. In the ninth F site, F(9) is bonded in a distorted bent 150 degrees geometry to one Rb(2), one Ti(1), and one Zn(1) atom. In the tenth F site, F(10) is bonded in a 3-coordinate geometry to one Rb(1), one Mg(1), one Zn(1), and one Zn(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb2MgTi2Zn2(OF5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.653
_cell_length_b   7.614
_cell_length_c   7.652
_cell_angle_alpha   60.451
_cell_angle_beta   57.749
_cell_angle_gamma   60.466
_symmetry_Int_Tables_number   1
_cell_volume   311.687
_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  0.454  0.459  0.131  1.0
  Rb  Rb1  1  0.613  0.679  0.518  1.0
  Mg  Mg2  1  0.270  0.248  0.712  1.0
  Ti  Ti3  1  0.980  0.996  0.532  1.0
  Ti  Ti4  1  0.494  0.985  0.037  1.0
  Zn  Zn5  1  0.984  0.979  0.037  1.0
  Zn  Zn6  1  0.988  0.500  0.030  1.0
  O  O7  1  0.282  0.958  0.306  1.0
  O  O8  1  0.703  0.038  0.729  1.0
  F  F9  1  0.080  0.052  0.699  1.0
  F  F10  1  0.056  0.668  0.108  1.0
  F  F11  1  0.076  0.682  0.700  1.0
  F  F12  1  0.666  0.050  0.115  1.0
  F  F13  1  0.321  0.311  0.911  1.0
  F  F14  1  0.669  0.672  0.111  1.0
  F  F15  1  0.323  0.946  0.916  1.0
  F  F16  1  0.916  0.306  0.350  1.0
  F  F17  1  0.914  0.928  0.354  1.0
  F  F18  1  0.960  0.304  0.929  1.0
[/CIF]
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The compound described by Rb2MgTi2Zn2(OF5)2 crystallizes in the triclinic P1 space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 6-coordinate geometry to one F(10), one F(2), one F(4), one F(5), one F(6), and one F(7) atom. In the second Rb site, Rb(2) is bonded in a 6-coordinate geometry to one O(1), one F(2), one F(4), one F(6), one F(8), and one F(9) atom. Mg(1) is bonded in a 3-coordinate geometry to one F(10), one F(5), and one F(7) atom. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(2), one F(1), one F(3), one F(8), and one F(9) atom to form TiO2F4 octahedra that share corners with two equivalent Ti(2)O2F4 octahedra, corners with two equivalent Zn(1)F6 octahedra, and corners with two equivalent Zn(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 22-49°. In the second Ti site, Ti(2) is bonded to one O(1), one O(2), one F(4), one F(5), one F(6), and one F(7) atom to form TiO2F4 octahedra that share corners with two equivalent Ti(1)O2F4 octahedra, corners with two equivalent Zn(1)F6 octahedra, and corners with two equivalent Zn(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 22-48°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one F(1), one F(10), one F(2), one F(4), one F(7), and one F(9) atom to form ZnF6 octahedra that share corners with two equivalent Ti(1)O2F4 octahedra, corners with two equivalent Ti(2)O2F4 octahedra, and corners with two equivalent Zn(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 39-49°. In the second Zn site, Zn(2) is bonded to one F(10), one F(2), one F(3), one F(5), one F(6), and one F(8) atom to form ZnF6 octahedra that share corners with two equivalent Ti(1)O2F4 octahedra, corners with two equivalent Ti(2)O2F4 octahedra, and corners with two equivalent Zn(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 38-47°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Rb(2), one Ti(1), and one Ti(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Ti(1) and one Ti(2) atom. There are ten inequivalent F sites. In the first F site, F(1) is bonded in a 2-coordinate geometry to one Ti(1) and one Zn(1) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Rb(1), one Rb(2), one Zn(1), and one Zn(2) atom. In the third F site, F(3) is bonded in a distorted bent 150 degrees geometry to one Ti(1) and one Zn(2) atom. In the fourth F site, F(4) is bonded in a 4-coordinate geometry to one Rb(1), one Rb(2), one Ti(2), and one Zn(1) atom. In the fifth F site, F(5) is bonded in a 3-coordinate geometry to one Rb(1), one Mg(1), one Ti(2), and one Zn(2) atom. In the sixth F site, F(6) is bonded in a 4-coordinate geometry to one Rb(1), one Rb(2), one Ti(2), and one Zn(2) atom. In the seventh F site, F(7) is bonded in a 3-coordinate geometry to one Rb(1), one Mg(1), one Ti(2), and one Zn(1) atom. In the eighth F site, F(8) is bonded in a distorted bent 150 degrees geometry to one Rb(2), one Ti(1), and one Zn(2) atom. In the ninth F site, F(9) is bonded in a distorted bent 150 degrees geometry to one Rb(2), one Ti(1), and one Zn(1) atom. In the tenth F site, F(10) is bonded in a 3-coordinate geometry to one Rb(1), one Mg(1), one Zn(1), and one Zn(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb2MgTi2Zn2(OF5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.653
_cell_length_b   7.614
_cell_length_c   7.652
_cell_angle_alpha   60.451
_cell_angle_beta   57.749
_cell_angle_gamma   60.466
_symmetry_Int_Tables_number   1
_cell_volume   311.687
_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  0.454  0.459  0.131  1.0
  Rb  Rb1  1  0.613  0.679  0.518  1.0
  Mg  Mg2  1  0.270  0.248  0.712  1.0
  Ti  Ti3  1  0.980  0.996  0.532  1.0
  Ti  Ti4  1  0.494  0.985  0.037  1.0
  Zn  Zn5  1  0.984  0.979  0.037  1.0
  Zn  Zn6  1  0.988  0.500  0.030  1.0
  O  O7  1  0.282  0.958  0.306  1.0
  O  O8  1  0.703  0.038  0.729  1.0
  F  F9  1  0.080  0.052  0.699  1.0
  F  F10  1  0.056  0.668  0.108  1.0
  F  F11  1  0.076  0.682  0.700  1.0
  F  F12  1  0.666  0.050  0.115  1.0
  F  F13  1  0.321  0.311  0.911  1.0
  F  F14  1  0.669  0.672  0.111  1.0
  F  F15  1  0.323  0.946  0.916  1.0
  F  F16  1  0.916  0.306  0.350  1.0
  F  F17  1  0.914  0.928  0.354  1.0
  F  F18  1  0.960  0.304  0.929  1.0
[/CIF]
.