The material described by Cs4Zn3F10 crystallizes in the orthorhombic Cmce space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 11-coordinate geometry to one F(2), two equivalent F(4), four equivalent F(1), and four equivalent F(3) atoms. In the second Cs site, Cs(2) is bonded in a 10-coordinate geometry to one F(3), two equivalent F(4), three equivalent F(2), and four equivalent F(1) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one F(2), one F(3), two equivalent F(1), and two equivalent F(4) atoms to form a mixture of face and corner-sharing ZnF6 octahedra. The corner-sharing octahedral tilt angles are 7°. In the second Zn site, Zn(2) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form face-sharing ZnF6 octahedra. There are four inequivalent F sites. In the first F site, F(2) is bonded to one Cs(1), three equivalent Cs(2), one Zn(1), and one Zn(2) atom to form a mixture of distorted corner and edge-sharing FCs4Zn2 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the second F site, F(3) is bonded in a distorted single-bond geometry to one Cs(2), four equivalent Cs(1), and one Zn(1) atom. In the third F site, F(4) is bonded in a distorted linear geometry to two equivalent Cs(1), two equivalent Cs(2), and two equivalent Zn(1) atoms. In the fourth F site, F(1) is bonded in a 2-coordinate geometry to two equivalent Cs(1), two equivalent Cs(2), one Zn(1), and one Zn(2) atom. is represented by the CIF card [CIF]
data_Cs4Zn3F10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.884
_cell_length_b   7.884
_cell_length_c   13.803
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   133.749
_symmetry_Int_Tables_number   1
_cell_volume   619.833
_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
  Cs  Cs0  1  0.256  0.744  0.610  1.0
  Cs  Cs1  1  0.744  0.256  0.390  1.0
  Cs  Cs2  1  0.244  0.756  0.110  1.0
  Cs  Cs3  1  0.756  0.244  0.890  1.0
  Cs  Cs4  1  0.955  0.045  0.639  1.0
  Cs  Cs5  1  0.045  0.955  0.361  1.0
  Cs  Cs6  1  0.545  0.455  0.139  1.0
  Cs  Cs7  1  0.455  0.545  0.861  1.0
  Zn  Zn8  1  0.621  0.379  0.656  1.0
  Zn  Zn9  1  0.379  0.621  0.344  1.0
  Zn  Zn10  1  0.879  0.121  0.156  1.0
  Zn  Zn11  1  0.121  0.879  0.844  1.0
  Zn  Zn12  1  0.500  0.500  0.500  1.0
  Zn  Zn13  1  0.000  0.000  0.000  1.0
  F  F14  1  0.615  0.815  0.462  1.0
  F  F15  1  0.815  0.615  0.538  1.0
  F  F16  1  0.885  0.685  0.962  1.0
  F  F17  1  0.685  0.885  0.038  1.0
  F  F18  1  0.385  0.185  0.538  1.0
  F  F19  1  0.185  0.385  0.462  1.0
  F  F20  1  0.115  0.315  0.038  1.0
  F  F21  1  0.315  0.115  0.962  1.0
  F  F22  1  0.475  0.525  0.645  1.0
  F  F23  1  0.525  0.475  0.355  1.0
  F  F24  1  0.025  0.975  0.145  1.0
  F  F25  1  0.975  0.025  0.855  1.0
  F  F26  1  0.754  0.246  0.650  1.0
  F  F27  1  0.246  0.754  0.350  1.0
  F  F28  1  0.362  0.138  0.750  1.0
  F  F29  1  0.138  0.362  0.250  1.0
  F  F30  1  0.638  0.862  0.250  1.0
  F  F31  1  0.862  0.638  0.750  1.0
  F  F32  1  0.254  0.746  0.850  1.0
  F  F33  1  0.746  0.254  0.150  1.0
[/CIF]
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The material described by Cs4Zn3F10 crystallizes in the orthorhombic Cmce space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 11-coordinate geometry to one F(2), two equivalent F(4), four equivalent F(1), and four equivalent F(3) atoms. In the second Cs site, Cs(2) is bonded in a 10-coordinate geometry to one F(3), two equivalent F(4), three equivalent F(2), and four equivalent F(1) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one F(2), one F(3), two equivalent F(1), and two equivalent F(4) atoms to form a mixture of face and corner-sharing ZnF6 octahedra. The corner-sharing octahedral tilt angles are 7°. In the second Zn site, Zn(2) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form face-sharing ZnF6 octahedra. There are four inequivalent F sites. In the first F site, F(2) is bonded to one Cs(1), three equivalent Cs(2), one Zn(1), and one Zn(2) atom to form a mixture of distorted corner and edge-sharing FCs4Zn2 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the second F site, F(3) is bonded in a distorted single-bond geometry to one Cs(2), four equivalent Cs(1), and one Zn(1) atom. In the third F site, F(4) is bonded in a distorted linear geometry to two equivalent Cs(1), two equivalent Cs(2), and two equivalent Zn(1) atoms. In the fourth F site, F(1) is bonded in a 2-coordinate geometry to two equivalent Cs(1), two equivalent Cs(2), one Zn(1), and one Zn(2) atom. is represented by the CIF card [CIF]
data_Cs4Zn3F10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.884
_cell_length_b   7.884
_cell_length_c   13.803
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   133.749
_symmetry_Int_Tables_number   1
_cell_volume   619.833
_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
  Cs  Cs0  1  0.256  0.744  0.610  1.0
  Cs  Cs1  1  0.744  0.256  0.390  1.0
  Cs  Cs2  1  0.244  0.756  0.110  1.0
  Cs  Cs3  1  0.756  0.244  0.890  1.0
  Cs  Cs4  1  0.955  0.045  0.639  1.0
  Cs  Cs5  1  0.045  0.955  0.361  1.0
  Cs  Cs6  1  0.545  0.455  0.139  1.0
  Cs  Cs7  1  0.455  0.545  0.861  1.0
  Zn  Zn8  1  0.621  0.379  0.656  1.0
  Zn  Zn9  1  0.379  0.621  0.344  1.0
  Zn  Zn10  1  0.879  0.121  0.156  1.0
  Zn  Zn11  1  0.121  0.879  0.844  1.0
  Zn  Zn12  1  0.500  0.500  0.500  1.0
  Zn  Zn13  1  0.000  0.000  0.000  1.0
  F  F14  1  0.615  0.815  0.462  1.0
  F  F15  1  0.815  0.615  0.538  1.0
  F  F16  1  0.885  0.685  0.962  1.0
  F  F17  1  0.685  0.885  0.038  1.0
  F  F18  1  0.385  0.185  0.538  1.0
  F  F19  1  0.185  0.385  0.462  1.0
  F  F20  1  0.115  0.315  0.038  1.0
  F  F21  1  0.315  0.115  0.962  1.0
  F  F22  1  0.475  0.525  0.645  1.0
  F  F23  1  0.525  0.475  0.355  1.0
  F  F24  1  0.025  0.975  0.145  1.0
  F  F25  1  0.975  0.025  0.855  1.0
  F  F26  1  0.754  0.246  0.650  1.0
  F  F27  1  0.246  0.754  0.350  1.0
  F  F28  1  0.362  0.138  0.750  1.0
  F  F29  1  0.138  0.362  0.250  1.0
  F  F30  1  0.638  0.862  0.250  1.0
  F  F31  1  0.862  0.638  0.750  1.0
  F  F32  1  0.254  0.746  0.850  1.0
  F  F33  1  0.746  0.254  0.150  1.0
[/CIF]
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