The compound described by MgV3CoSn2(PO4)6 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 5-coordinate geometry to one O(1), one O(16), one O(23), one O(6), and one O(7) atom. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(10), one O(22), one O(23), one O(24), one O(6), and one O(8) atom to form VO6 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 V site, V(2) is bonded to one O(12), one O(14), one O(20), one O(4), one O(7), and one O(9) atom to form VO6 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 third V site, V(3) is bonded to one O(1), one O(15), one O(17), one O(19), one O(2), and one O(3) atom to form distorted VO6 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. Co(1) is bonded to one O(11), one O(13), one O(16), one O(18), one O(21), and one O(5) atom to form distorted CoO6 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 Sn sites. In the first Sn site, Sn(1) is bonded in a 3-coordinate geometry to one O(11), one O(18), and one O(21) atom. In the second Sn site, Sn(2) is bonded in a 3-coordinate geometry to one O(15), one O(17), and one O(19) atom. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra, and  a cornercorner with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-46°. In the second P site, P(2) is bonded to one O(1), one O(13), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra, and  a cornercorner with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-53°. In the third P site, P(3) is bonded to one O(10), one O(14), one O(16), and one O(2) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra, and  a cornercorner with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-57°. In the fourth P site, P(4) is bonded to one O(11), one O(15), one O(23), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra, and  a cornercorner with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-46°. In the fifth P site, P(5) is bonded to one O(12), one O(17), one O(18), and one O(24) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra, and  a cornercorner with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-43°. In the sixth P site, P(6) is bonded to one O(19), one O(20), one O(21), and one O(22) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra, and  a cornercorner with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-51°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mg(1), one V(3), and one P(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(3) and one P(3) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(3) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one V(2) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Co(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one V(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Mg(1), one V(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one V(1) and one P(2) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one V(2) and one P(4) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one V(1) and one P(3) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Co(1), one Sn(1), and one P(4) atom. In the twelfth O site, O(12) is bonded in a distorted bent 150 degrees geometry to one V(2) and one P(5) atom. In the thirteenth O site, O(13) is bonded in a bent 120 degrees geometry to one Co(1) and one P(2) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one V(2) and one P(3) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one V(3), one Sn(2), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Mg(1), one Co(1), and one P(3) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one V(3), one Sn(2), and one P(5) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one Co(1), one Sn(1), and one P(5) atom. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one V(3), one Sn(2), and one P(6) atom. In the twentieth O site, O(20) is bonded in a bent 150 degrees geometry to one V(2) and one P(6) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Co(1), one Sn(1), and one P(6) atom. In the twenty-second O site, O(22) is bonded in a bent 150 degrees geometry to one V(1) and one P(6) atom. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one Mg(1), one V(1), and one P(4) atom. In the twenty-fourth O site, O(24) is bonded in a bent 150 degrees geometry to one V(1) and one P(5) atom. is represented by the CIF file [CIF]
data_MgV3CoSn2(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.193
_cell_length_b   8.481
_cell_length_c   8.452
_cell_angle_alpha   60.227
_cell_angle_beta   64.393
_cell_angle_gamma   62.823
_symmetry_Int_Tables_number   1
_cell_volume   490.561
_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
  Mg  Mg0  1  0.204  0.254  0.922  1.0
  V  V1  1  0.056  0.658  0.641  1.0
  V  V2  1  0.458  0.847  0.844  1.0
  V  V3  1  0.957  0.359  0.346  1.0
  Co  Co4  1  0.520  0.156  0.169  1.0
  Sn  Sn5  1  0.921  0.013  0.024  1.0
  Sn  Sn6  1  0.555  0.485  0.464  1.0
  P  P7  1  0.256  0.251  0.543  1.0
  P  P8  1  0.255  0.958  0.256  1.0
  P  P9  1  0.239  0.546  0.967  1.0
  P  P10  1  0.769  0.455  0.030  1.0
  P  P11  1  0.742  0.046  0.740  1.0
  P  P12  1  0.746  0.746  0.469  1.0
  O  O13  1  0.103  0.148  0.240  1.0
  O  O14  1  0.072  0.546  0.126  1.0
  O  O15  1  0.089  0.290  0.509  1.0
  O  O16  1  0.284  0.057  0.710  1.0
  O  O17  1  0.405  0.273  0.366  1.0
  O  O18  1  0.223  0.395  0.632  1.0
  O  O19  1  0.307  0.965  0.051  1.0
  O  O20  1  0.196  0.780  0.400  1.0
  O  O21  1  0.634  0.647  0.986  1.0
  O  O22  1  0.191  0.629  0.775  1.0
  O  O23  1  0.729  0.297  0.025  1.0
  O  O24  1  0.580  0.043  0.733  1.0
  O  O25  1  0.401  0.951  0.302  1.0
  O  O26  1  0.323  0.667  0.959  1.0
  O  O27  1  0.777  0.394  0.236  1.0
  O  O28  1  0.355  0.338  0.981  1.0
  O  O29  1  0.769  0.243  0.592  1.0
  O  O30  1  0.719  0.031  0.942  1.0
  O  O31  1  0.767  0.598  0.397  1.0
  O  O32  1  0.589  0.751  0.632  1.0
  O  O33  1  0.737  0.943  0.301  1.0
  O  O34  1  0.911  0.676  0.529  1.0
  O  O35  1  0.953  0.456  0.900  1.0
  O  O36  1  0.903  0.889  0.691  1.0
[/CIF]
.
The compound described by MgV3CoSn2(PO4)6 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 5-coordinate geometry to one O(1), one O(16), one O(23), one O(6), and one O(7) atom. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(10), one O(22), one O(23), one O(24), one O(6), and one O(8) atom to form VO6 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 V site, V(2) is bonded to one O(12), one O(14), one O(20), one O(4), one O(7), and one O(9) atom to form VO6 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 third V site, V(3) is bonded to one O(1), one O(15), one O(17), one O(19), one O(2), and one O(3) atom to form distorted VO6 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. Co(1) is bonded to one O(11), one O(13), one O(16), one O(18), one O(21), and one O(5) atom to form distorted CoO6 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 Sn sites. In the first Sn site, Sn(1) is bonded in a 3-coordinate geometry to one O(11), one O(18), and one O(21) atom. In the second Sn site, Sn(2) is bonded in a 3-coordinate geometry to one O(15), one O(17), and one O(19) atom. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra, and  a cornercorner with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-46°. In the second P site, P(2) is bonded to one O(1), one O(13), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra, and  a cornercorner with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-53°. In the third P site, P(3) is bonded to one O(10), one O(14), one O(16), and one O(2) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra, and  a cornercorner with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-57°. In the fourth P site, P(4) is bonded to one O(11), one O(15), one O(23), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra, and  a cornercorner with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-46°. In the fifth P site, P(5) is bonded to one O(12), one O(17), one O(18), and one O(24) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra, and  a cornercorner with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-43°. In the sixth P site, P(6) is bonded to one O(19), one O(20), one O(21), and one O(22) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra, and  a cornercorner with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-51°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mg(1), one V(3), and one P(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(3) and one P(3) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(3) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one V(2) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Co(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one V(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Mg(1), one V(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one V(1) and one P(2) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one V(2) and one P(4) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one V(1) and one P(3) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Co(1), one Sn(1), and one P(4) atom. In the twelfth O site, O(12) is bonded in a distorted bent 150 degrees geometry to one V(2) and one P(5) atom. In the thirteenth O site, O(13) is bonded in a bent 120 degrees geometry to one Co(1) and one P(2) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one V(2) and one P(3) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one V(3), one Sn(2), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Mg(1), one Co(1), and one P(3) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one V(3), one Sn(2), and one P(5) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one Co(1), one Sn(1), and one P(5) atom. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one V(3), one Sn(2), and one P(6) atom. In the twentieth O site, O(20) is bonded in a bent 150 degrees geometry to one V(2) and one P(6) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Co(1), one Sn(1), and one P(6) atom. In the twenty-second O site, O(22) is bonded in a bent 150 degrees geometry to one V(1) and one P(6) atom. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one Mg(1), one V(1), and one P(4) atom. In the twenty-fourth O site, O(24) is bonded in a bent 150 degrees geometry to one V(1) and one P(5) atom. is represented by the CIF file [CIF]
data_MgV3CoSn2(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.193
_cell_length_b   8.481
_cell_length_c   8.452
_cell_angle_alpha   60.227
_cell_angle_beta   64.393
_cell_angle_gamma   62.823
_symmetry_Int_Tables_number   1
_cell_volume   490.561
_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
  Mg  Mg0  1  0.204  0.254  0.922  1.0
  V  V1  1  0.056  0.658  0.641  1.0
  V  V2  1  0.458  0.847  0.844  1.0
  V  V3  1  0.957  0.359  0.346  1.0
  Co  Co4  1  0.520  0.156  0.169  1.0
  Sn  Sn5  1  0.921  0.013  0.024  1.0
  Sn  Sn6  1  0.555  0.485  0.464  1.0
  P  P7  1  0.256  0.251  0.543  1.0
  P  P8  1  0.255  0.958  0.256  1.0
  P  P9  1  0.239  0.546  0.967  1.0
  P  P10  1  0.769  0.455  0.030  1.0
  P  P11  1  0.742  0.046  0.740  1.0
  P  P12  1  0.746  0.746  0.469  1.0
  O  O13  1  0.103  0.148  0.240  1.0
  O  O14  1  0.072  0.546  0.126  1.0
  O  O15  1  0.089  0.290  0.509  1.0
  O  O16  1  0.284  0.057  0.710  1.0
  O  O17  1  0.405  0.273  0.366  1.0
  O  O18  1  0.223  0.395  0.632  1.0
  O  O19  1  0.307  0.965  0.051  1.0
  O  O20  1  0.196  0.780  0.400  1.0
  O  O21  1  0.634  0.647  0.986  1.0
  O  O22  1  0.191  0.629  0.775  1.0
  O  O23  1  0.729  0.297  0.025  1.0
  O  O24  1  0.580  0.043  0.733  1.0
  O  O25  1  0.401  0.951  0.302  1.0
  O  O26  1  0.323  0.667  0.959  1.0
  O  O27  1  0.777  0.394  0.236  1.0
  O  O28  1  0.355  0.338  0.981  1.0
  O  O29  1  0.769  0.243  0.592  1.0
  O  O30  1  0.719  0.031  0.942  1.0
  O  O31  1  0.767  0.598  0.397  1.0
  O  O32  1  0.589  0.751  0.632  1.0
  O  O33  1  0.737  0.943  0.301  1.0
  O  O34  1  0.911  0.676  0.529  1.0
  O  O35  1  0.953  0.456  0.900  1.0
  O  O36  1  0.903  0.889  0.691  1.0
[/CIF]
.