The material described by CrZnSF5 crystallizes in the triclinic P1 space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one F(10), one F(2), one F(4), one F(5), one F(7), and one F(9) atom to form corner-sharing CrF6 octahedra. The corner-sharing octahedral tilt angles range from 39-41°. In the second Cr site, Cr(2) is bonded to one F(1), one F(10), one F(3), one F(6), one F(8), and one F(9) atom to form corner-sharing CrF6 octahedra. The corner-sharing octahedral tilt angles range from 39-41°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 3-coordinate geometry to one S(1), one F(6), one F(7), and one F(8) atom. In the second Zn site, Zn(2) is bonded in a 4-coordinate geometry to one S(2), one F(1), one F(2), and one F(4) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a water-like geometry to one Zn(1) and one S(2) atom. In the second S site, S(2) is bonded in a 3-coordinate geometry to one Zn(2), one S(1), and one F(5) atom. There are ten inequivalent F sites. In the first F site, F(1) is bonded in a 2-coordinate geometry to one Cr(2) and one Zn(2) atom. In the second F site, F(2) is bonded in a water-like geometry to one Cr(1) and one Zn(2) atom. In the third F site, F(3) is bonded in a single-bond geometry to one Cr(2) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one Cr(1) and one Zn(2) atom. In the fifth F site, F(5) is bonded in a bent 120 degrees geometry to one Cr(1) and one S(2) atom. In the sixth F site, F(6) is bonded in a bent 120 degrees geometry to one Cr(2) and one Zn(1) atom. In the seventh F site, F(7) is bonded in a bent 120 degrees geometry to one Cr(1) and one Zn(1) atom. In the eighth F site, F(8) is bonded in a water-like geometry to one Cr(2) and one Zn(1) atom. In the ninth F site, F(9) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(2) atom. In the tenth F site, F(10) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZnCrSF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.013
_cell_length_b   6.179
_cell_length_c   7.341
_cell_angle_alpha   78.707
_cell_angle_beta   73.522
_cell_angle_gamma   73.785
_symmetry_Int_Tables_number   1
_cell_volume   249.127
_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
  Zn  Zn0  1  0.546  0.325  0.843  1.0
  Zn  Zn1  1  0.260  0.000  0.329  1.0
  Cr  Cr2  1  0.007  0.488  0.489  1.0
  Cr  Cr3  1  0.984  0.486  0.001  1.0
  S  S4  1  0.471  0.038  0.706  1.0
  S  S5  1  0.567  0.097  0.432  1.0
  F  F6  1  0.219  0.169  0.077  1.0
  F  F7  1  0.017  0.168  0.544  1.0
  F  F8  1  0.776  0.771  0.972  1.0
  F  F9  1  0.044  0.798  0.393  1.0
  F  F10  1  0.340  0.399  0.342  1.0
  F  F11  1  0.755  0.310  0.008  1.0
  F  F12  1  0.680  0.552  0.636  1.0
  F  F13  1  0.279  0.577  0.965  1.0
  F  F14  1  0.876  0.494  0.275  1.0
  F  F15  1  0.111  0.478  0.720  1.0
[/CIF]
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The material described by CrZnSF5 crystallizes in the triclinic P1 space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one F(10), one F(2), one F(4), one F(5), one F(7), and one F(9) atom to form corner-sharing CrF6 octahedra. The corner-sharing octahedral tilt angles range from 39-41°. In the second Cr site, Cr(2) is bonded to one F(1), one F(10), one F(3), one F(6), one F(8), and one F(9) atom to form corner-sharing CrF6 octahedra. The corner-sharing octahedral tilt angles range from 39-41°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 3-coordinate geometry to one S(1), one F(6), one F(7), and one F(8) atom. In the second Zn site, Zn(2) is bonded in a 4-coordinate geometry to one S(2), one F(1), one F(2), and one F(4) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a water-like geometry to one Zn(1) and one S(2) atom. In the second S site, S(2) is bonded in a 3-coordinate geometry to one Zn(2), one S(1), and one F(5) atom. There are ten inequivalent F sites. In the first F site, F(1) is bonded in a 2-coordinate geometry to one Cr(2) and one Zn(2) atom. In the second F site, F(2) is bonded in a water-like geometry to one Cr(1) and one Zn(2) atom. In the third F site, F(3) is bonded in a single-bond geometry to one Cr(2) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one Cr(1) and one Zn(2) atom. In the fifth F site, F(5) is bonded in a bent 120 degrees geometry to one Cr(1) and one S(2) atom. In the sixth F site, F(6) is bonded in a bent 120 degrees geometry to one Cr(2) and one Zn(1) atom. In the seventh F site, F(7) is bonded in a bent 120 degrees geometry to one Cr(1) and one Zn(1) atom. In the eighth F site, F(8) is bonded in a water-like geometry to one Cr(2) and one Zn(1) atom. In the ninth F site, F(9) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(2) atom. In the tenth F site, F(10) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZnCrSF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.013
_cell_length_b   6.179
_cell_length_c   7.341
_cell_angle_alpha   78.707
_cell_angle_beta   73.522
_cell_angle_gamma   73.785
_symmetry_Int_Tables_number   1
_cell_volume   249.127
_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
  Zn  Zn0  1  0.546  0.325  0.843  1.0
  Zn  Zn1  1  0.260  0.000  0.329  1.0
  Cr  Cr2  1  0.007  0.488  0.489  1.0
  Cr  Cr3  1  0.984  0.486  0.001  1.0
  S  S4  1  0.471  0.038  0.706  1.0
  S  S5  1  0.567  0.097  0.432  1.0
  F  F6  1  0.219  0.169  0.077  1.0
  F  F7  1  0.017  0.168  0.544  1.0
  F  F8  1  0.776  0.771  0.972  1.0
  F  F9  1  0.044  0.798  0.393  1.0
  F  F10  1  0.340  0.399  0.342  1.0
  F  F11  1  0.755  0.310  0.008  1.0
  F  F12  1  0.680  0.552  0.636  1.0
  F  F13  1  0.279  0.577  0.965  1.0
  F  F14  1  0.876  0.494  0.275  1.0
  F  F15  1  0.111  0.478  0.720  1.0
[/CIF]
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