The compound described by BaCo2(PO4)2 crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to one O(10), one O(12), one O(13), one O(16), one O(5), one O(7), three equivalent O(2), and three equivalent O(3) atoms to form BaO12 cuboctahedra that share corners with three equivalent Co(3)O6 octahedra, corners with three equivalent Co(4)O6 octahedra, edges with six equivalent Ba(1)O12 cuboctahedra, edges with three equivalent P(2)O4 tetrahedra, edges with three equivalent P(3)O4 tetrahedra,  a faceface with one Co(1)O6 octahedra, and  a faceface with one Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the second Ba site, Ba(2) is bonded to one O(11), one O(14), one O(15), one O(6), one O(8), one O(9), three equivalent O(1), and three equivalent O(4) atoms to form BaO12 cuboctahedra that share corners with three equivalent Co(1)O6 octahedra, corners with three equivalent Co(2)O6 octahedra, edges with six equivalent Ba(2)O12 cuboctahedra, edges with three equivalent P(1)O4 tetrahedra, edges with three equivalent P(4)O4 tetrahedra,  a faceface with one Co(3)O6 octahedra, and  a faceface with one Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(11), one O(13), one O(15), one O(5), one O(7), and one O(9) atom to form CoO6 octahedra that share corners with three equivalent Ba(2)O12 cuboctahedra, corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(3)O4 tetrahedra, edges with three equivalent Co(4)O6 octahedra, and  a faceface with one Ba(1)O12 cuboctahedra. In the second Co site, Co(2) is bonded to one O(10), one O(12), one O(14), one O(16), one O(6), and one O(8) atom to form CoO6 octahedra that share corners with three equivalent Ba(2)O12 cuboctahedra, corners with three equivalent P(2)O4 tetrahedra, corners with three equivalent P(4)O4 tetrahedra, edges with three equivalent Co(3)O6 octahedra, and  a faceface with one Ba(1)O12 cuboctahedra. In the third Co site, Co(3) is bonded to one O(10), one O(12), one O(14), one O(16), one O(6), and one O(8) atom to form CoO6 octahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with three equivalent P(2)O4 tetrahedra, corners with three equivalent P(4)O4 tetrahedra, edges with three equivalent Co(2)O6 octahedra, and  a faceface with one Ba(2)O12 cuboctahedra. In the fourth Co site, Co(4) is bonded to one O(11), one O(13), one O(15), one O(5), one O(7), and one O(9) atom to form CoO6 octahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(3)O4 tetrahedra, edges with three equivalent Co(1)O6 octahedra, and  a faceface with one Ba(2)O12 cuboctahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(11), one O(15), and one O(9) atom to form PO4 tetrahedra that share corners with three equivalent Co(1)O6 octahedra, corners with three equivalent Co(4)O6 octahedra, and edges with three equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 50-54°. In the second P site, P(2) is bonded to one O(10), one O(12), one O(16), and one O(2) atom to form PO4 tetrahedra that share corners with three equivalent Co(2)O6 octahedra, corners with three equivalent Co(3)O6 octahedra, and edges with three equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 50-54°. In the third P site, P(3) is bonded to one O(13), one O(3), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Co(1)O6 octahedra, corners with three equivalent Co(4)O6 octahedra, and edges with three equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 50-54°. In the fourth P site, P(4) is bonded to one O(14), one O(4), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with three equivalent Co(2)O6 octahedra, corners with three equivalent Co(3)O6 octahedra, and edges with three equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 49-54°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to three equivalent Ba(2) and one P(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one P(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one P(3) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to three equivalent Ba(2) and one P(4) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ba(1), one Co(1), one Co(4), and one P(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ba(2), one Co(2), one Co(3), and one P(4) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Ba(1), one Co(1), one Co(4), and one P(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Ba(2), one Co(2), one Co(3), and one P(4) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Ba(2), one Co(1), one Co(4), and one P(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Ba(1), one Co(2), one Co(3), and one P(2) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Ba(2), one Co(1), one Co(4), and one P(1) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Ba(1), one Co(2), one Co(3), and one P(2) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Ba(1), one Co(1), one Co(4), and one P(3) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Ba(2), one Co(2), one Co(3), and one P(4) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Ba(2), one Co(1), one Co(4), and one P(1) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Ba(1), one Co(2), one Co(3), and one P(2) atom. is represented by the CIF card [CIF]
data_BaCo2(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.895
_cell_length_b   4.900
_cell_length_c   8.450
_cell_angle_alpha   106.786
_cell_angle_beta   106.675
_cell_angle_gamma   60.059
_symmetry_Int_Tables_number   1
_cell_volume   165.645
_cell_formula_units_Z   1
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
  Ba  Ba0  1  0.000  0.000  0.000  1.0
  Co  Co1  1  0.831  0.829  0.491  1.0
  Co  Co2  1  0.170  0.170  0.509  1.0
  O  O3  1  0.363  0.364  0.089  1.0
  O  O4  1  0.637  0.637  0.911  1.0
  O  O5  1  0.849  0.243  0.655  1.0
  O  O6  1  0.562  0.850  0.655  1.0
  O  O7  1  0.149  0.757  0.345  1.0
  O  O8  1  0.757  0.438  0.344  1.0
  O  O9  1  0.243  0.562  0.656  1.0
  O  O10  1  0.439  0.149  0.345  1.0
  P  P11  1  0.427  0.427  0.281  1.0
  P  P12  1  0.573  0.573  0.719  1.0
[/CIF]
.
The compound described by BaCo2(PO4)2 crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to one O(10), one O(12), one O(13), one O(16), one O(5), one O(7), three equivalent O(2), and three equivalent O(3) atoms to form BaO12 cuboctahedra that share corners with three equivalent Co(3)O6 octahedra, corners with three equivalent Co(4)O6 octahedra, edges with six equivalent Ba(1)O12 cuboctahedra, edges with three equivalent P(2)O4 tetrahedra, edges with three equivalent P(3)O4 tetrahedra,  a faceface with one Co(1)O6 octahedra, and  a faceface with one Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the second Ba site, Ba(2) is bonded to one O(11), one O(14), one O(15), one O(6), one O(8), one O(9), three equivalent O(1), and three equivalent O(4) atoms to form BaO12 cuboctahedra that share corners with three equivalent Co(1)O6 octahedra, corners with three equivalent Co(2)O6 octahedra, edges with six equivalent Ba(2)O12 cuboctahedra, edges with three equivalent P(1)O4 tetrahedra, edges with three equivalent P(4)O4 tetrahedra,  a faceface with one Co(3)O6 octahedra, and  a faceface with one Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(11), one O(13), one O(15), one O(5), one O(7), and one O(9) atom to form CoO6 octahedra that share corners with three equivalent Ba(2)O12 cuboctahedra, corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(3)O4 tetrahedra, edges with three equivalent Co(4)O6 octahedra, and  a faceface with one Ba(1)O12 cuboctahedra. In the second Co site, Co(2) is bonded to one O(10), one O(12), one O(14), one O(16), one O(6), and one O(8) atom to form CoO6 octahedra that share corners with three equivalent Ba(2)O12 cuboctahedra, corners with three equivalent P(2)O4 tetrahedra, corners with three equivalent P(4)O4 tetrahedra, edges with three equivalent Co(3)O6 octahedra, and  a faceface with one Ba(1)O12 cuboctahedra. In the third Co site, Co(3) is bonded to one O(10), one O(12), one O(14), one O(16), one O(6), and one O(8) atom to form CoO6 octahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with three equivalent P(2)O4 tetrahedra, corners with three equivalent P(4)O4 tetrahedra, edges with three equivalent Co(2)O6 octahedra, and  a faceface with one Ba(2)O12 cuboctahedra. In the fourth Co site, Co(4) is bonded to one O(11), one O(13), one O(15), one O(5), one O(7), and one O(9) atom to form CoO6 octahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(3)O4 tetrahedra, edges with three equivalent Co(1)O6 octahedra, and  a faceface with one Ba(2)O12 cuboctahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(11), one O(15), and one O(9) atom to form PO4 tetrahedra that share corners with three equivalent Co(1)O6 octahedra, corners with three equivalent Co(4)O6 octahedra, and edges with three equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 50-54°. In the second P site, P(2) is bonded to one O(10), one O(12), one O(16), and one O(2) atom to form PO4 tetrahedra that share corners with three equivalent Co(2)O6 octahedra, corners with three equivalent Co(3)O6 octahedra, and edges with three equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 50-54°. In the third P site, P(3) is bonded to one O(13), one O(3), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Co(1)O6 octahedra, corners with three equivalent Co(4)O6 octahedra, and edges with three equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 50-54°. In the fourth P site, P(4) is bonded to one O(14), one O(4), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with three equivalent Co(2)O6 octahedra, corners with three equivalent Co(3)O6 octahedra, and edges with three equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 49-54°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to three equivalent Ba(2) and one P(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one P(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one P(3) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to three equivalent Ba(2) and one P(4) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ba(1), one Co(1), one Co(4), and one P(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ba(2), one Co(2), one Co(3), and one P(4) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Ba(1), one Co(1), one Co(4), and one P(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Ba(2), one Co(2), one Co(3), and one P(4) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Ba(2), one Co(1), one Co(4), and one P(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Ba(1), one Co(2), one Co(3), and one P(2) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Ba(2), one Co(1), one Co(4), and one P(1) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Ba(1), one Co(2), one Co(3), and one P(2) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Ba(1), one Co(1), one Co(4), and one P(3) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Ba(2), one Co(2), one Co(3), and one P(4) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Ba(2), one Co(1), one Co(4), and one P(1) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Ba(1), one Co(2), one Co(3), and one P(2) atom. is represented by the CIF card [CIF]
data_BaCo2(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.895
_cell_length_b   4.900
_cell_length_c   8.450
_cell_angle_alpha   106.786
_cell_angle_beta   106.675
_cell_angle_gamma   60.059
_symmetry_Int_Tables_number   1
_cell_volume   165.645
_cell_formula_units_Z   1
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
  Ba  Ba0  1  0.000  0.000  0.000  1.0
  Co  Co1  1  0.831  0.829  0.491  1.0
  Co  Co2  1  0.170  0.170  0.509  1.0
  O  O3  1  0.363  0.364  0.089  1.0
  O  O4  1  0.637  0.637  0.911  1.0
  O  O5  1  0.849  0.243  0.655  1.0
  O  O6  1  0.562  0.850  0.655  1.0
  O  O7  1  0.149  0.757  0.345  1.0
  O  O8  1  0.757  0.438  0.344  1.0
  O  O9  1  0.243  0.562  0.656  1.0
  O  O10  1  0.439  0.149  0.345  1.0
  P  P11  1  0.427  0.427  0.281  1.0
  P  P12  1  0.573  0.573  0.719  1.0
[/CIF]
.