The material described by ZrMnF7Tl crystallizes in the orthorhombic Cmcm space group. The structure consists of four 7440-28-0 atoms inside a ZrMnF7 framework. In the ZrMnF7 framework, Zr(1) is bonded to one F(4), two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form ZrF7 pentagonal bipyramids that share corners with three equivalent Mn(1)F7 pentagonal bipyramids and edges with two equivalent Mn(1)F7 pentagonal bipyramids. Mn(1) is bonded to one F(4), two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form MnF7 pentagonal bipyramids that share corners with three equivalent Zr(1)F7 pentagonal bipyramids and edges with two equivalent Zr(1)F7 pentagonal bipyramids. There are four inequivalent F sites. In the first F site, F(1) is bonded in a water-like geometry to one Zr(1) and one Mn(1) atom. In the second F site, F(2) is bonded in a linear geometry to one Zr(1) and one Mn(1) atom. In the third F site, F(3) is bonded in a bent 120 degrees geometry to one Zr(1) and one Mn(1) atom. In the fourth F site, F(4) is bonded in a linear geometry to one Zr(1) and one Mn(1) atom. is represented by the CIF file [CIF]
data_ZrMnTlF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.548
_cell_length_b   6.548
_cell_length_c   8.413
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   117.581
_symmetry_Int_Tables_number   1
_cell_volume   319.712
_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
  Zr  Zr0  1  0.193  0.807  0.750  1.0
  Zr  Zr1  1  0.807  0.193  0.250  1.0
  Mn  Mn2  1  0.812  0.188  0.750  1.0
  Mn  Mn3  1  0.188  0.812  0.250  1.0
  Tl  Tl4  1  0.500  0.500  0.500  1.0
  Tl  Tl5  1  0.500  0.500  0.000  1.0
  F  F6  1  0.448  0.156  0.750  1.0
  F  F7  1  0.804  0.196  0.494  1.0
  F  F8  1  0.475  0.167  0.250  1.0
  F  F9  1  0.833  0.525  0.250  1.0
  F  F10  1  0.525  0.833  0.750  1.0
  F  F11  1  0.196  0.804  0.506  1.0
  F  F12  1  0.196  0.804  0.994  1.0
  F  F13  1  0.008  0.992  0.750  1.0
  F  F14  1  0.156  0.448  0.250  1.0
  F  F15  1  0.804  0.196  0.006  1.0
  F  F16  1  0.992  0.008  0.250  1.0
  F  F17  1  0.167  0.475  0.750  1.0
  F  F18  1  0.844  0.552  0.750  1.0
  F  F19  1  0.552  0.844  0.250  1.0
[/CIF]
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The material described by ZrMnF7Tl crystallizes in the orthorhombic Cmcm space group. The structure consists of four 7440-28-0 atoms inside a ZrMnF7 framework. In the ZrMnF7 framework, Zr(1) is bonded to one F(4), two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form ZrF7 pentagonal bipyramids that share corners with three equivalent Mn(1)F7 pentagonal bipyramids and edges with two equivalent Mn(1)F7 pentagonal bipyramids. Mn(1) is bonded to one F(4), two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form MnF7 pentagonal bipyramids that share corners with three equivalent Zr(1)F7 pentagonal bipyramids and edges with two equivalent Zr(1)F7 pentagonal bipyramids. There are four inequivalent F sites. In the first F site, F(1) is bonded in a water-like geometry to one Zr(1) and one Mn(1) atom. In the second F site, F(2) is bonded in a linear geometry to one Zr(1) and one Mn(1) atom. In the third F site, F(3) is bonded in a bent 120 degrees geometry to one Zr(1) and one Mn(1) atom. In the fourth F site, F(4) is bonded in a linear geometry to one Zr(1) and one Mn(1) atom. is represented by the CIF file [CIF]
data_ZrMnTlF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.548
_cell_length_b   6.548
_cell_length_c   8.413
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   117.581
_symmetry_Int_Tables_number   1
_cell_volume   319.712
_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
  Zr  Zr0  1  0.193  0.807  0.750  1.0
  Zr  Zr1  1  0.807  0.193  0.250  1.0
  Mn  Mn2  1  0.812  0.188  0.750  1.0
  Mn  Mn3  1  0.188  0.812  0.250  1.0
  Tl  Tl4  1  0.500  0.500  0.500  1.0
  Tl  Tl5  1  0.500  0.500  0.000  1.0
  F  F6  1  0.448  0.156  0.750  1.0
  F  F7  1  0.804  0.196  0.494  1.0
  F  F8  1  0.475  0.167  0.250  1.0
  F  F9  1  0.833  0.525  0.250  1.0
  F  F10  1  0.525  0.833  0.750  1.0
  F  F11  1  0.196  0.804  0.506  1.0
  F  F12  1  0.196  0.804  0.994  1.0
  F  F13  1  0.008  0.992  0.750  1.0
  F  F14  1  0.156  0.448  0.250  1.0
  F  F15  1  0.804  0.196  0.006  1.0
  F  F16  1  0.992  0.008  0.250  1.0
  F  F17  1  0.167  0.475  0.750  1.0
  F  F18  1  0.844  0.552  0.750  1.0
  F  F19  1  0.552  0.844  0.250  1.0
[/CIF]
.