The structure described by ZrCo3(BO4)2 crystallizes in the orthorhombic Pmc2_1 space group. Zr(1) is bonded in a 7-coordinate geometry to one O(2), one O(4), one O(6), two equivalent O(1), and two equivalent O(7) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(7), two equivalent O(4), and two equivalent O(6) atoms to form a mixture of distorted corner and edge-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles are 48°. In the second Co site, Co(2) is bonded to one O(2), one O(8), two equivalent O(3), and two equivalent O(5) atoms to form a mixture of corner and edge-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles are 68°. In the third Co site, Co(3) is bonded to one O(1), one O(5), two equivalent O(2), and two equivalent O(8) atoms to form a mixture of corner and edge-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 48-68°. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(3), one O(5), and one O(7) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(4), one O(6), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Zr(1), one Co(1), and one Co(3) atom to form OZr2Co2 tetrahedra that share  a cornercorner with one O(5)Co3B tetrahedra, corners with two equivalent O(1)Zr2Co2 tetrahedra, corners with three equivalent O(7)Zr2CoB tetrahedra,  an edgeedge with one O(7)Zr2CoB tetrahedra, and edges with two equivalent O(2)ZrCo3 tetrahedra. In the second O site, O(2) is bonded to one Zr(1), one Co(2), and two equivalent Co(3) atoms to form OZrCo3 tetrahedra that share corners with two equivalent O(7)Zr2CoB tetrahedra, corners with two equivalent O(2)ZrCo3 tetrahedra, corners with four equivalent O(5)Co3B tetrahedra, and edges with two equivalent O(1)Zr2Co2 tetrahedra. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Co(2) and one B(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Zr(1), two equivalent Co(1), and one B(2) atom. In the fifth O site, O(5) is bonded to one Co(3), two equivalent Co(2), and one B(1) atom to form distorted OCo3B tetrahedra that share  a cornercorner with one O(1)Zr2Co2 tetrahedra,  a cornercorner with one O(7)Zr2CoB tetrahedra, corners with two equivalent O(5)Co3B tetrahedra, and corners with four equivalent O(2)ZrCo3 tetrahedra. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Zr(1), two equivalent Co(1), and one B(2) atom. In the seventh O site, O(7) is bonded to two equivalent Zr(1), one Co(1), and one B(1) atom to form distorted OZr2CoB tetrahedra that share  a cornercorner with one O(5)Co3B tetrahedra, corners with two equivalent O(7)Zr2CoB tetrahedra, corners with two equivalent O(2)ZrCo3 tetrahedra, corners with three equivalent O(1)Zr2Co2 tetrahedra, and  an edgeedge with one O(1)Zr2Co2 tetrahedra. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Co(2), two equivalent Co(3), and one B(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZrCo3(BO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.332
_cell_length_b   9.375
_cell_length_c   9.563
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   298.694
_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  0.500  0.835  0.399  1.0
  Zr  Zr1  1  0.500  0.165  0.899  1.0
  Co  Co2  1  0.000  0.078  0.593  1.0
  Co  Co3  1  0.000  0.922  0.093  1.0
  Co  Co4  1  0.500  0.441  0.400  1.0
  Co  Co5  1  0.500  0.559  0.900  1.0
  Co  Co6  1  0.000  0.667  0.623  1.0
  Co  Co7  1  0.000  0.333  0.123  1.0
  B  B8  1  0.000  0.374  0.671  1.0
  B  B9  1  0.000  0.626  0.171  1.0
  B  B10  1  0.500  0.122  0.319  1.0
  B  B11  1  0.500  0.878  0.819  1.0
  O  O12  1  0.000  0.870  0.518  1.0
  O  O13  1  0.000  0.130  0.018  1.0
  O  O14  1  0.500  0.637  0.488  1.0
  O  O15  1  0.500  0.363  0.988  1.0
  O  O16  1  0.000  0.370  0.529  1.0
  O  O17  1  0.000  0.630  0.029  1.0
  O  O18  1  0.500  0.084  0.460  1.0
  O  O19  1  0.500  0.916  0.960  1.0
  O  O20  1  0.000  0.496  0.752  1.0
  O  O21  1  0.000  0.504  0.252  1.0
  O  O22  1  0.500  0.999  0.232  1.0
  O  O23  1  0.500  0.001  0.732  1.0
  O  O24  1  0.000  0.239  0.745  1.0
  O  O25  1  0.000  0.761  0.245  1.0
  O  O26  1  0.500  0.258  0.271  1.0
  O  O27  1  0.500  0.742  0.771  1.0
[/CIF]
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The structure described by ZrCo3(BO4)2 crystallizes in the orthorhombic Pmc2_1 space group. Zr(1) is bonded in a 7-coordinate geometry to one O(2), one O(4), one O(6), two equivalent O(1), and two equivalent O(7) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(7), two equivalent O(4), and two equivalent O(6) atoms to form a mixture of distorted corner and edge-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles are 48°. In the second Co site, Co(2) is bonded to one O(2), one O(8), two equivalent O(3), and two equivalent O(5) atoms to form a mixture of corner and edge-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles are 68°. In the third Co site, Co(3) is bonded to one O(1), one O(5), two equivalent O(2), and two equivalent O(8) atoms to form a mixture of corner and edge-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 48-68°. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(3), one O(5), and one O(7) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(4), one O(6), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Zr(1), one Co(1), and one Co(3) atom to form OZr2Co2 tetrahedra that share  a cornercorner with one O(5)Co3B tetrahedra, corners with two equivalent O(1)Zr2Co2 tetrahedra, corners with three equivalent O(7)Zr2CoB tetrahedra,  an edgeedge with one O(7)Zr2CoB tetrahedra, and edges with two equivalent O(2)ZrCo3 tetrahedra. In the second O site, O(2) is bonded to one Zr(1), one Co(2), and two equivalent Co(3) atoms to form OZrCo3 tetrahedra that share corners with two equivalent O(7)Zr2CoB tetrahedra, corners with two equivalent O(2)ZrCo3 tetrahedra, corners with four equivalent O(5)Co3B tetrahedra, and edges with two equivalent O(1)Zr2Co2 tetrahedra. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Co(2) and one B(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Zr(1), two equivalent Co(1), and one B(2) atom. In the fifth O site, O(5) is bonded to one Co(3), two equivalent Co(2), and one B(1) atom to form distorted OCo3B tetrahedra that share  a cornercorner with one O(1)Zr2Co2 tetrahedra,  a cornercorner with one O(7)Zr2CoB tetrahedra, corners with two equivalent O(5)Co3B tetrahedra, and corners with four equivalent O(2)ZrCo3 tetrahedra. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Zr(1), two equivalent Co(1), and one B(2) atom. In the seventh O site, O(7) is bonded to two equivalent Zr(1), one Co(1), and one B(1) atom to form distorted OZr2CoB tetrahedra that share  a cornercorner with one O(5)Co3B tetrahedra, corners with two equivalent O(7)Zr2CoB tetrahedra, corners with two equivalent O(2)ZrCo3 tetrahedra, corners with three equivalent O(1)Zr2Co2 tetrahedra, and  an edgeedge with one O(1)Zr2Co2 tetrahedra. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Co(2), two equivalent Co(3), and one B(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZrCo3(BO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.332
_cell_length_b   9.375
_cell_length_c   9.563
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   298.694
_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  0.500  0.835  0.399  1.0
  Zr  Zr1  1  0.500  0.165  0.899  1.0
  Co  Co2  1  0.000  0.078  0.593  1.0
  Co  Co3  1  0.000  0.922  0.093  1.0
  Co  Co4  1  0.500  0.441  0.400  1.0
  Co  Co5  1  0.500  0.559  0.900  1.0
  Co  Co6  1  0.000  0.667  0.623  1.0
  Co  Co7  1  0.000  0.333  0.123  1.0
  B  B8  1  0.000  0.374  0.671  1.0
  B  B9  1  0.000  0.626  0.171  1.0
  B  B10  1  0.500  0.122  0.319  1.0
  B  B11  1  0.500  0.878  0.819  1.0
  O  O12  1  0.000  0.870  0.518  1.0
  O  O13  1  0.000  0.130  0.018  1.0
  O  O14  1  0.500  0.637  0.488  1.0
  O  O15  1  0.500  0.363  0.988  1.0
  O  O16  1  0.000  0.370  0.529  1.0
  O  O17  1  0.000  0.630  0.029  1.0
  O  O18  1  0.500  0.084  0.460  1.0
  O  O19  1  0.500  0.916  0.960  1.0
  O  O20  1  0.000  0.496  0.752  1.0
  O  O21  1  0.000  0.504  0.252  1.0
  O  O22  1  0.500  0.999  0.232  1.0
  O  O23  1  0.500  0.001  0.732  1.0
  O  O24  1  0.000  0.239  0.745  1.0
  O  O25  1  0.000  0.761  0.245  1.0
  O  O26  1  0.500  0.258  0.271  1.0
  O  O27  1  0.500  0.742  0.771  1.0
[/CIF]
.