The structure described by ScCrO4 crystallizes in the triclinic P1 space group. There are four inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to one O(16), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form ScO6 octahedra that share  a cornercorner with one Cr(1)O4 tetrahedra,  a cornercorner with one Cr(4)O4 tetrahedra, corners with two equivalent Cr(2)O4 tetrahedra, corners with two equivalent Cr(3)O4 tetrahedra, and edges with two equivalent Sc(3)O6 octahedra. In the second Sc site, Sc(2) is bonded to one O(1), one O(10), one O(15), one O(3), one O(6), and one O(8) atom to form ScO6 octahedra that share  a cornercorner with one Cr(2)O4 tetrahedra,  a cornercorner with one Cr(3)O4 tetrahedra, corners with two equivalent Cr(1)O4 tetrahedra, corners with two equivalent Cr(4)O4 tetrahedra, and edges with two equivalent Sc(4)O6 octahedra. In the third Sc site, Sc(3) is bonded to one O(11), one O(14), one O(2), one O(4), one O(5), and one O(7) atom to form ScO6 octahedra that share  a cornercorner with one Cr(1)O4 tetrahedra,  a cornercorner with one Cr(4)O4 tetrahedra, corners with two equivalent Cr(2)O4 tetrahedra, corners with two equivalent Cr(3)O4 tetrahedra, and edges with two equivalent Sc(1)O6 octahedra. In the fourth Sc site, Sc(4) is bonded to one O(1), one O(12), one O(13), one O(3), one O(6), and one O(8) atom to form ScO6 octahedra that share  a cornercorner with one Cr(2)O4 tetrahedra,  a cornercorner with one Cr(3)O4 tetrahedra, corners with two equivalent Cr(1)O4 tetrahedra, corners with two equivalent Cr(4)O4 tetrahedra, and edges with two equivalent Sc(2)O6 octahedra. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(10), one O(12), one O(4), and one O(6) atom to form CrO4 tetrahedra that share  a cornercorner with one Sc(1)O6 octahedra,  a cornercorner with one Sc(3)O6 octahedra, corners with two equivalent Sc(2)O6 octahedra, and corners with two equivalent Sc(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-55°. In the second Cr site, Cr(2) is bonded to one O(14), one O(16), one O(2), and one O(8) atom to form CrO4 tetrahedra that share  a cornercorner with one Sc(2)O6 octahedra,  a cornercorner with one Sc(4)O6 octahedra, corners with two equivalent Sc(1)O6 octahedra, and corners with two equivalent Sc(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-55°. In the third Cr site, Cr(3) is bonded to one O(11), one O(3), one O(5), and one O(9) atom to form CrO4 tetrahedra that share  a cornercorner with one Sc(2)O6 octahedra,  a cornercorner with one Sc(4)O6 octahedra, corners with two equivalent Sc(1)O6 octahedra, and corners with two equivalent Sc(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-55°. In the fourth Cr site, Cr(4) is bonded to one O(1), one O(13), one O(15), and one O(7) atom to form CrO4 tetrahedra that share  a cornercorner with one Sc(1)O6 octahedra,  a cornercorner with one Sc(3)O6 octahedra, corners with two equivalent Sc(2)O6 octahedra, and corners with two equivalent Sc(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-55°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Sc(2), one Sc(4), and one Cr(4) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Sc(1), one Sc(3), and one Cr(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Sc(2), one Sc(4), and one Cr(3) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Sc(1), one Sc(3), and one Cr(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Sc(1), one Sc(3), and one Cr(3) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Sc(2), one Sc(4), and one Cr(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Sc(1), one Sc(3), and one Cr(4) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Sc(2), one Sc(4), and one Cr(2) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Sc(1) and one Cr(3) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one Sc(2) and one Cr(1) atom. In the eleventh O site, O(11) is bonded in a distorted bent 150 degrees geometry to one Sc(3) and one Cr(3) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Sc(4) and one Cr(1) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 150 degrees geometry to one Sc(4) and one Cr(4) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one Sc(3) and one Cr(2) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 150 degrees geometry to one Sc(2) and one Cr(4) atom. In the sixteenth O site, O(16) is bonded in a bent 120 degrees geometry to one Sc(1) and one Cr(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_ScCrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.144
_cell_length_b   5.147
_cell_length_c   6.632
_cell_angle_alpha   90.070
_cell_angle_beta   90.026
_cell_angle_gamma   112.850
_symmetry_Int_Tables_number   1
_cell_volume   161.810
_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
  Cr  Cr0  1  0.358  0.642  0.250  1.0
  Cr  Cr1  1  0.643  0.356  0.750  1.0
  O  O2  1  0.788  0.732  0.751  1.0
  O  O3  1  0.732  0.787  0.248  1.0
  O  O4  1  0.213  0.268  0.252  1.0
  O  O5  1  0.267  0.212  0.749  1.0
  O  O6  1  0.244  0.763  0.047  1.0
  O  O7  1  0.237  0.756  0.453  1.0
  O  O8  1  0.755  0.240  0.545  1.0
  O  O9  1  0.761  0.245  0.955  1.0
  Sc  Sc10  1  0.002  0.001  0.999  1.0
  Sc  Sc11  1  0.999  0.998  0.501  1.0
[/CIF]
.
The structure described by ScCrO4 crystallizes in the triclinic P1 space group. There are four inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to one O(16), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form ScO6 octahedra that share  a cornercorner with one Cr(1)O4 tetrahedra,  a cornercorner with one Cr(4)O4 tetrahedra, corners with two equivalent Cr(2)O4 tetrahedra, corners with two equivalent Cr(3)O4 tetrahedra, and edges with two equivalent Sc(3)O6 octahedra. In the second Sc site, Sc(2) is bonded to one O(1), one O(10), one O(15), one O(3), one O(6), and one O(8) atom to form ScO6 octahedra that share  a cornercorner with one Cr(2)O4 tetrahedra,  a cornercorner with one Cr(3)O4 tetrahedra, corners with two equivalent Cr(1)O4 tetrahedra, corners with two equivalent Cr(4)O4 tetrahedra, and edges with two equivalent Sc(4)O6 octahedra. In the third Sc site, Sc(3) is bonded to one O(11), one O(14), one O(2), one O(4), one O(5), and one O(7) atom to form ScO6 octahedra that share  a cornercorner with one Cr(1)O4 tetrahedra,  a cornercorner with one Cr(4)O4 tetrahedra, corners with two equivalent Cr(2)O4 tetrahedra, corners with two equivalent Cr(3)O4 tetrahedra, and edges with two equivalent Sc(1)O6 octahedra. In the fourth Sc site, Sc(4) is bonded to one O(1), one O(12), one O(13), one O(3), one O(6), and one O(8) atom to form ScO6 octahedra that share  a cornercorner with one Cr(2)O4 tetrahedra,  a cornercorner with one Cr(3)O4 tetrahedra, corners with two equivalent Cr(1)O4 tetrahedra, corners with two equivalent Cr(4)O4 tetrahedra, and edges with two equivalent Sc(2)O6 octahedra. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(10), one O(12), one O(4), and one O(6) atom to form CrO4 tetrahedra that share  a cornercorner with one Sc(1)O6 octahedra,  a cornercorner with one Sc(3)O6 octahedra, corners with two equivalent Sc(2)O6 octahedra, and corners with two equivalent Sc(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-55°. In the second Cr site, Cr(2) is bonded to one O(14), one O(16), one O(2), and one O(8) atom to form CrO4 tetrahedra that share  a cornercorner with one Sc(2)O6 octahedra,  a cornercorner with one Sc(4)O6 octahedra, corners with two equivalent Sc(1)O6 octahedra, and corners with two equivalent Sc(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-55°. In the third Cr site, Cr(3) is bonded to one O(11), one O(3), one O(5), and one O(9) atom to form CrO4 tetrahedra that share  a cornercorner with one Sc(2)O6 octahedra,  a cornercorner with one Sc(4)O6 octahedra, corners with two equivalent Sc(1)O6 octahedra, and corners with two equivalent Sc(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-55°. In the fourth Cr site, Cr(4) is bonded to one O(1), one O(13), one O(15), and one O(7) atom to form CrO4 tetrahedra that share  a cornercorner with one Sc(1)O6 octahedra,  a cornercorner with one Sc(3)O6 octahedra, corners with two equivalent Sc(2)O6 octahedra, and corners with two equivalent Sc(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-55°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Sc(2), one Sc(4), and one Cr(4) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Sc(1), one Sc(3), and one Cr(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Sc(2), one Sc(4), and one Cr(3) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Sc(1), one Sc(3), and one Cr(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Sc(1), one Sc(3), and one Cr(3) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Sc(2), one Sc(4), and one Cr(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Sc(1), one Sc(3), and one Cr(4) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Sc(2), one Sc(4), and one Cr(2) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Sc(1) and one Cr(3) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one Sc(2) and one Cr(1) atom. In the eleventh O site, O(11) is bonded in a distorted bent 150 degrees geometry to one Sc(3) and one Cr(3) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Sc(4) and one Cr(1) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 150 degrees geometry to one Sc(4) and one Cr(4) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one Sc(3) and one Cr(2) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 150 degrees geometry to one Sc(2) and one Cr(4) atom. In the sixteenth O site, O(16) is bonded in a bent 120 degrees geometry to one Sc(1) and one Cr(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_ScCrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.144
_cell_length_b   5.147
_cell_length_c   6.632
_cell_angle_alpha   90.070
_cell_angle_beta   90.026
_cell_angle_gamma   112.850
_symmetry_Int_Tables_number   1
_cell_volume   161.810
_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
  Cr  Cr0  1  0.358  0.642  0.250  1.0
  Cr  Cr1  1  0.643  0.356  0.750  1.0
  O  O2  1  0.788  0.732  0.751  1.0
  O  O3  1  0.732  0.787  0.248  1.0
  O  O4  1  0.213  0.268  0.252  1.0
  O  O5  1  0.267  0.212  0.749  1.0
  O  O6  1  0.244  0.763  0.047  1.0
  O  O7  1  0.237  0.756  0.453  1.0
  O  O8  1  0.755  0.240  0.545  1.0
  O  O9  1  0.761  0.245  0.955  1.0
  Sc  Sc10  1  0.002  0.001  0.999  1.0
  Sc  Sc11  1  0.999  0.998  0.501  1.0
[/CIF]
.