The material structure described by MgV3CoSn2(PO4)6 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 5-coordinate geometry to one O(12), one O(15), one O(17), one O(21), and one O(5) 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 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 in a 5-coordinate geometry to one O(11), one O(13), one O(16), one O(18), one O(21), and one O(5) atom. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a distorted T-shaped geometry to one O(11), one O(18), and one O(21) atom. In the second Sn site, Sn(2) is bonded in a distorted pentagonal planar geometry to one O(10), one O(13), one O(19), one O(20), and one O(8) 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, and  a cornercorner with one V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-34°. 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, and  a cornercorner with one V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-31°. 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, and  a cornercorner with one V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-46°. 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, and  a cornercorner with one V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-51°. 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, and  a cornercorner with one V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-40°. 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, and  a cornercorner with one V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-49°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to 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 linear geometry to one V(3) and one P(1) atom. In the fourth O site, O(4) is bonded in a 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 trigonal planar geometry to one Mg(1), one Co(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(2) and one P(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one V(1), one Sn(2), 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 distorted trigonal planar geometry to one V(1), one Sn(2), 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 trigonal planar geometry to one Mg(1), one V(2), and one P(5) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Co(1), one Sn(2), 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 distorted trigonal non-coplanar geometry to one Mg(1), one V(3), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 150 degrees geometry to one Co(1) and one P(3) atom. In the seventeenth O site, O(17) is bonded in a distorted T-shaped geometry to one Mg(1), one V(3), 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 3-coordinate geometry to one V(2), one Sn(2), and one P(6) atom. In the twenty-first O site, O(21) is bonded in a 4-coordinate geometry to one Mg(1), one Co(1), one Sn(1), and one P(6) atom. In the twenty-second O site, O(22) is bonded in a linear geometry to one V(1) and one P(6) atom. In the twenty-third O site, O(23) is bonded in a bent 150 degrees geometry to 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 Crystallographic Information File (CIF) [CIF]
data_MgV3CoSn2(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.187
_cell_length_b   8.459
_cell_length_c   8.585
_cell_angle_alpha   60.501
_cell_angle_beta   62.189
_cell_angle_gamma   62.816
_symmetry_Int_Tables_number   1
_cell_volume   490.757
_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  0.653  0.172  0.428  1.0
  V  V1  1  0.061  0.628  0.664  1.0
  V  V2  1  0.442  0.844  0.853  1.0
  V  V3  1  0.949  0.355  0.341  1.0
  Co  Co4  1  0.524  0.164  0.140  1.0
  Sn  Sn5  1  0.946  0.012  0.008  1.0
  Sn  Sn6  1  0.470  0.634  0.490  1.0
  P  P7  1  0.256  0.247  0.540  1.0
  P  P8  1  0.243  0.959  0.254  1.0
  P  P9  1  0.251  0.539  0.959  1.0
  P  P10  1  0.758  0.456  0.032  1.0
  P  P11  1  0.759  0.026  0.743  1.0
  P  P12  1  0.759  0.741  0.473  1.0
  O  O13  1  0.076  0.122  0.279  1.0
  O  O14  1  0.080  0.509  0.105  1.0
  O  O15  1  0.107  0.285  0.482  1.0
  O  O16  1  0.279  0.059  0.707  1.0
  O  O17  1  0.432  0.247  0.378  1.0
  O  O18  1  0.215  0.412  0.605  1.0
  O  O19  1  0.302  0.958  0.056  1.0
  O  O20  1  0.207  0.767  0.408  1.0
  O  O21  1  0.614  0.638  0.987  1.0
  O  O22  1  0.229  0.623  0.756  1.0
  O  O23  1  0.737  0.285  0.024  1.0
  O  O24  1  0.612  0.007  0.715  1.0
  O  O25  1  0.393  0.961  0.295  1.0
  O  O26  1  0.281  0.693  0.976  1.0
  O  O27  1  0.754  0.389  0.240  1.0
  O  O28  1  0.406  0.362  0.960  1.0
  O  O29  1  0.783  0.215  0.578  1.0
  O  O30  1  0.719  0.028  0.939  1.0
  O  O31  1  0.792  0.616  0.370  1.0
  O  O32  1  0.573  0.750  0.617  1.0
  O  O33  1  0.758  0.950  0.327  1.0
  O  O34  1  0.895  0.662  0.567  1.0
  O  O35  1  0.940  0.473  0.904  1.0
  O  O36  1  0.926  0.861  0.713  1.0
[/CIF]
.
The material structure described by MgV3CoSn2(PO4)6 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 5-coordinate geometry to one O(12), one O(15), one O(17), one O(21), and one O(5) 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 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 in a 5-coordinate geometry to one O(11), one O(13), one O(16), one O(18), one O(21), and one O(5) atom. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a distorted T-shaped geometry to one O(11), one O(18), and one O(21) atom. In the second Sn site, Sn(2) is bonded in a distorted pentagonal planar geometry to one O(10), one O(13), one O(19), one O(20), and one O(8) 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, and  a cornercorner with one V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-34°. 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, and  a cornercorner with one V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-31°. 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, and  a cornercorner with one V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-46°. 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, and  a cornercorner with one V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-51°. 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, and  a cornercorner with one V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-40°. 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, and  a cornercorner with one V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-49°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to 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 linear geometry to one V(3) and one P(1) atom. In the fourth O site, O(4) is bonded in a 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 trigonal planar geometry to one Mg(1), one Co(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(2) and one P(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one V(1), one Sn(2), 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 distorted trigonal planar geometry to one V(1), one Sn(2), 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 trigonal planar geometry to one Mg(1), one V(2), and one P(5) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Co(1), one Sn(2), 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 distorted trigonal non-coplanar geometry to one Mg(1), one V(3), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 150 degrees geometry to one Co(1) and one P(3) atom. In the seventeenth O site, O(17) is bonded in a distorted T-shaped geometry to one Mg(1), one V(3), 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 3-coordinate geometry to one V(2), one Sn(2), and one P(6) atom. In the twenty-first O site, O(21) is bonded in a 4-coordinate geometry to one Mg(1), one Co(1), one Sn(1), and one P(6) atom. In the twenty-second O site, O(22) is bonded in a linear geometry to one V(1) and one P(6) atom. In the twenty-third O site, O(23) is bonded in a bent 150 degrees geometry to 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 Crystallographic Information File (CIF) [CIF]
data_MgV3CoSn2(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.187
_cell_length_b   8.459
_cell_length_c   8.585
_cell_angle_alpha   60.501
_cell_angle_beta   62.189
_cell_angle_gamma   62.816
_symmetry_Int_Tables_number   1
_cell_volume   490.757
_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  0.653  0.172  0.428  1.0
  V  V1  1  0.061  0.628  0.664  1.0
  V  V2  1  0.442  0.844  0.853  1.0
  V  V3  1  0.949  0.355  0.341  1.0
  Co  Co4  1  0.524  0.164  0.140  1.0
  Sn  Sn5  1  0.946  0.012  0.008  1.0
  Sn  Sn6  1  0.470  0.634  0.490  1.0
  P  P7  1  0.256  0.247  0.540  1.0
  P  P8  1  0.243  0.959  0.254  1.0
  P  P9  1  0.251  0.539  0.959  1.0
  P  P10  1  0.758  0.456  0.032  1.0
  P  P11  1  0.759  0.026  0.743  1.0
  P  P12  1  0.759  0.741  0.473  1.0
  O  O13  1  0.076  0.122  0.279  1.0
  O  O14  1  0.080  0.509  0.105  1.0
  O  O15  1  0.107  0.285  0.482  1.0
  O  O16  1  0.279  0.059  0.707  1.0
  O  O17  1  0.432  0.247  0.378  1.0
  O  O18  1  0.215  0.412  0.605  1.0
  O  O19  1  0.302  0.958  0.056  1.0
  O  O20  1  0.207  0.767  0.408  1.0
  O  O21  1  0.614  0.638  0.987  1.0
  O  O22  1  0.229  0.623  0.756  1.0
  O  O23  1  0.737  0.285  0.024  1.0
  O  O24  1  0.612  0.007  0.715  1.0
  O  O25  1  0.393  0.961  0.295  1.0
  O  O26  1  0.281  0.693  0.976  1.0
  O  O27  1  0.754  0.389  0.240  1.0
  O  O28  1  0.406  0.362  0.960  1.0
  O  O29  1  0.783  0.215  0.578  1.0
  O  O30  1  0.719  0.028  0.939  1.0
  O  O31  1  0.792  0.616  0.370  1.0
  O  O32  1  0.573  0.750  0.617  1.0
  O  O33  1  0.758  0.950  0.327  1.0
  O  O34  1  0.895  0.662  0.567  1.0
  O  O35  1  0.940  0.473  0.904  1.0
  O  O36  1  0.926  0.861  0.713  1.0
[/CIF]
.