The compound described by ZrCrCu2(PO4)3 crystallizes in the triclinic P1 space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to one O(12), one O(14), one O(20), one O(3), one O(7), and one O(9) atom to form ZrO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. In the second Zr site, Zr(2) is bonded to one O(11), one O(13), one O(16), one O(18), one O(22), and one O(5) atom to form ZrO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(10), one O(2), one O(4), one O(6), and one O(8) atom to form CrO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. In the second Cr site, Cr(2) is bonded to one O(15), one O(17), one O(19), one O(21), one O(23), and one O(24) atom to form CrO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 3-coordinate geometry to one O(1), one O(14), and one O(7) atom. In the second Cu site, Cu(2) is bonded in a 2-coordinate geometry to one O(10), one O(17), and one O(6) atom. In the third Cu site, Cu(3) is bonded in a 3-coordinate geometry to one O(15), one O(19), and one O(8) atom. In the fourth Cu site, Cu(4) is bonded in a 3-coordinate geometry to one O(11), one O(18), and one O(3) atom. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(24), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Zr(1)O6 octahedra,  a cornercorner with one Zr(2)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra, and  a cornercorner with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-42°. In the second P site, P(2) is bonded to one O(13), one O(21), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Zr(1)O6 octahedra,  a cornercorner with one Zr(2)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra, and  a cornercorner with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-43°. In the third P site, P(3) is bonded to one O(10), one O(14), one O(16), and one O(23) atom to form PO4 tetrahedra that share  a cornercorner with one Zr(1)O6 octahedra,  a cornercorner with one Zr(2)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra, and  a cornercorner with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-39°. In the fourth P site, P(4) is bonded to one O(11), one O(15), one O(2), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Zr(1)O6 octahedra,  a cornercorner with one Zr(2)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra, and  a cornercorner with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-40°. In the fifth P site, P(5) is bonded to one O(12), one O(17), one O(18), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Zr(1)O6 octahedra,  a cornercorner with one Zr(2)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra, and  a cornercorner with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-43°. In the sixth P site, P(6) is bonded to one O(1), one O(19), one O(20), and one O(22) atom to form PO4 tetrahedra that share  a cornercorner with one Zr(1)O6 octahedra,  a cornercorner with one Zr(2)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra, and  a cornercorner with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-42°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Cr(1), one Cu(1), and one P(6) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(4) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Zr(1), one Cu(4), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(5) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Zr(2) and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Cr(1), one Cu(2), and one P(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Zr(1), one Cu(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Cr(1), one Cu(3), and one P(2) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Zr(1) and one P(4) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Cr(1), one Cu(2), and one P(3) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Zr(2), one Cu(4), and one P(4) atom. In the twelfth O site, O(12) is bonded in a distorted bent 150 degrees geometry to one Zr(1) and one P(5) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 150 degrees geometry to one Zr(2) and one P(2) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal non-coplanar geometry to one Zr(1), one Cu(1), and one P(3) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Cr(2), one Cu(3), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one Zr(2) and one P(3) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal planar geometry to one Cr(2), one Cu(2), and one P(5) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal planar geometry to one Zr(2), one Cu(4), and one P(5) atom. In the nineteenth O site, O(19) is bonded in a distorted trigonal planar geometry to one Cr(2), one Cu(3), and one P(6) atom. In the twentieth O site, O(20) is bonded in a linear geometry to one Zr(1) and one P(6) atom. In the twenty-first O site, O(21) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(2) atom. In the twenty-second O site, O(22) is bonded in a distorted bent 150 degrees geometry to one Zr(2) and one P(6) atom. In the twenty-third O site, O(23) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(3) atom. In the twenty-fourth O site, O(24) is bonded in a distorted bent 150 degrees geometry to one Cr(2) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZrCrCu2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.845
_cell_length_b   8.869
_cell_length_c   8.919
_cell_angle_alpha   60.365
_cell_angle_beta   60.987
_cell_angle_gamma   60.624
_symmetry_Int_Tables_number   1
_cell_volume   502.063
_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  0.862  0.425  0.855  1.0
  Zr  Zr1  1  0.142  0.579  0.145  1.0
  Cr  Cr2  1  0.643  0.074  0.644  1.0
  Cr  Cr3  1  0.356  0.926  0.355  1.0
  Cu  Cu4  1  0.215  0.106  0.729  1.0
  Cu  Cu5  1  0.611  0.480  0.352  1.0
  Cu  Cu6  1  0.385  0.521  0.648  1.0
  Cu  Cu7  1  0.859  0.977  0.115  1.0
  P  P8  1  0.539  0.239  0.261  1.0
  P  P9  1  0.261  0.241  0.965  1.0
  P  P10  1  0.967  0.238  0.530  1.0
  P  P11  1  0.033  0.764  0.465  1.0
  P  P12  1  0.737  0.762  0.037  1.0
  P  P13  1  0.456  0.758  0.741  1.0
  O  O14  1  0.473  0.945  0.693  1.0
  O  O15  1  0.868  0.930  0.501  1.0
  O  O16  1  0.723  0.238  0.094  1.0
  O  O17  1  0.688  0.930  0.880  1.0
  O  O18  1  0.385  0.417  0.206  1.0
  O  O19  1  0.570  0.250  0.414  1.0
  O  O20  1  0.097  0.245  0.937  1.0
  O  O21  1  0.419  0.255  0.775  1.0
  O  O22  1  0.005  0.583  0.622  1.0
  O  O23  1  0.779  0.242  0.559  1.0
  O  O24  1  0.052  0.759  0.283  1.0
  O  O25  1  0.800  0.578  0.008  1.0
  O  O26  1  0.206  0.422  0.995  1.0
  O  O27  1  0.961  0.241  0.710  1.0
  O  O28  1  0.219  0.757  0.447  1.0
  O  O29  1  0.995  0.418  0.375  1.0
  O  O30  1  0.580  0.746  0.225  1.0
  O  O31  1  0.900  0.764  0.063  1.0
  O  O32  1  0.433  0.748  0.584  1.0
  O  O33  1  0.625  0.595  0.786  1.0
  O  O34  1  0.309  0.070  0.120  1.0
  O  O35  1  0.282  0.745  0.909  1.0
  O  O36  1  0.129  0.069  0.497  1.0
  O  O37  1  0.505  0.065  0.313  1.0
[/CIF]
.
The compound described by ZrCrCu2(PO4)3 crystallizes in the triclinic P1 space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to one O(12), one O(14), one O(20), one O(3), one O(7), and one O(9) atom to form ZrO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. In the second Zr site, Zr(2) is bonded to one O(11), one O(13), one O(16), one O(18), one O(22), and one O(5) atom to form ZrO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(10), one O(2), one O(4), one O(6), and one O(8) atom to form CrO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. In the second Cr site, Cr(2) is bonded to one O(15), one O(17), one O(19), one O(21), one O(23), and one O(24) atom to form CrO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 3-coordinate geometry to one O(1), one O(14), and one O(7) atom. In the second Cu site, Cu(2) is bonded in a 2-coordinate geometry to one O(10), one O(17), and one O(6) atom. In the third Cu site, Cu(3) is bonded in a 3-coordinate geometry to one O(15), one O(19), and one O(8) atom. In the fourth Cu site, Cu(4) is bonded in a 3-coordinate geometry to one O(11), one O(18), and one O(3) atom. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(24), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Zr(1)O6 octahedra,  a cornercorner with one Zr(2)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra, and  a cornercorner with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-42°. In the second P site, P(2) is bonded to one O(13), one O(21), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Zr(1)O6 octahedra,  a cornercorner with one Zr(2)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra, and  a cornercorner with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-43°. In the third P site, P(3) is bonded to one O(10), one O(14), one O(16), and one O(23) atom to form PO4 tetrahedra that share  a cornercorner with one Zr(1)O6 octahedra,  a cornercorner with one Zr(2)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra, and  a cornercorner with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-39°. In the fourth P site, P(4) is bonded to one O(11), one O(15), one O(2), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Zr(1)O6 octahedra,  a cornercorner with one Zr(2)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra, and  a cornercorner with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-40°. In the fifth P site, P(5) is bonded to one O(12), one O(17), one O(18), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Zr(1)O6 octahedra,  a cornercorner with one Zr(2)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra, and  a cornercorner with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-43°. In the sixth P site, P(6) is bonded to one O(1), one O(19), one O(20), and one O(22) atom to form PO4 tetrahedra that share  a cornercorner with one Zr(1)O6 octahedra,  a cornercorner with one Zr(2)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra, and  a cornercorner with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-42°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Cr(1), one Cu(1), and one P(6) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(4) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Zr(1), one Cu(4), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(5) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Zr(2) and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Cr(1), one Cu(2), and one P(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Zr(1), one Cu(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Cr(1), one Cu(3), and one P(2) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Zr(1) and one P(4) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Cr(1), one Cu(2), and one P(3) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Zr(2), one Cu(4), and one P(4) atom. In the twelfth O site, O(12) is bonded in a distorted bent 150 degrees geometry to one Zr(1) and one P(5) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 150 degrees geometry to one Zr(2) and one P(2) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal non-coplanar geometry to one Zr(1), one Cu(1), and one P(3) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Cr(2), one Cu(3), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one Zr(2) and one P(3) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal planar geometry to one Cr(2), one Cu(2), and one P(5) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal planar geometry to one Zr(2), one Cu(4), and one P(5) atom. In the nineteenth O site, O(19) is bonded in a distorted trigonal planar geometry to one Cr(2), one Cu(3), and one P(6) atom. In the twentieth O site, O(20) is bonded in a linear geometry to one Zr(1) and one P(6) atom. In the twenty-first O site, O(21) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(2) atom. In the twenty-second O site, O(22) is bonded in a distorted bent 150 degrees geometry to one Zr(2) and one P(6) atom. In the twenty-third O site, O(23) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(3) atom. In the twenty-fourth O site, O(24) is bonded in a distorted bent 150 degrees geometry to one Cr(2) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZrCrCu2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.845
_cell_length_b   8.869
_cell_length_c   8.919
_cell_angle_alpha   60.365
_cell_angle_beta   60.987
_cell_angle_gamma   60.624
_symmetry_Int_Tables_number   1
_cell_volume   502.063
_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  0.862  0.425  0.855  1.0
  Zr  Zr1  1  0.142  0.579  0.145  1.0
  Cr  Cr2  1  0.643  0.074  0.644  1.0
  Cr  Cr3  1  0.356  0.926  0.355  1.0
  Cu  Cu4  1  0.215  0.106  0.729  1.0
  Cu  Cu5  1  0.611  0.480  0.352  1.0
  Cu  Cu6  1  0.385  0.521  0.648  1.0
  Cu  Cu7  1  0.859  0.977  0.115  1.0
  P  P8  1  0.539  0.239  0.261  1.0
  P  P9  1  0.261  0.241  0.965  1.0
  P  P10  1  0.967  0.238  0.530  1.0
  P  P11  1  0.033  0.764  0.465  1.0
  P  P12  1  0.737  0.762  0.037  1.0
  P  P13  1  0.456  0.758  0.741  1.0
  O  O14  1  0.473  0.945  0.693  1.0
  O  O15  1  0.868  0.930  0.501  1.0
  O  O16  1  0.723  0.238  0.094  1.0
  O  O17  1  0.688  0.930  0.880  1.0
  O  O18  1  0.385  0.417  0.206  1.0
  O  O19  1  0.570  0.250  0.414  1.0
  O  O20  1  0.097  0.245  0.937  1.0
  O  O21  1  0.419  0.255  0.775  1.0
  O  O22  1  0.005  0.583  0.622  1.0
  O  O23  1  0.779  0.242  0.559  1.0
  O  O24  1  0.052  0.759  0.283  1.0
  O  O25  1  0.800  0.578  0.008  1.0
  O  O26  1  0.206  0.422  0.995  1.0
  O  O27  1  0.961  0.241  0.710  1.0
  O  O28  1  0.219  0.757  0.447  1.0
  O  O29  1  0.995  0.418  0.375  1.0
  O  O30  1  0.580  0.746  0.225  1.0
  O  O31  1  0.900  0.764  0.063  1.0
  O  O32  1  0.433  0.748  0.584  1.0
  O  O33  1  0.625  0.595  0.786  1.0
  O  O34  1  0.309  0.070  0.120  1.0
  O  O35  1  0.282  0.745  0.909  1.0
  O  O36  1  0.129  0.069  0.497  1.0
  O  O37  1  0.505  0.065  0.313  1.0
[/CIF]
.