The structure described by MgV2(PO5)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), one O(7), and one O(9) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(10), one O(2), one O(3), one O(4), and one O(5) atom to form distorted VO5 trigonal bipyramids that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. In the second V site, V(2) is bonded to one O(1), one O(6), one O(7), one O(8), and one O(9) atom to form distorted VO5 trigonal bipyramids that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O5 trigonal bipyramids and corners with two equivalent V(2)O5 trigonal bipyramids. In the second P site, P(2) is bonded to one O(4), one O(5), one O(8), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O5 trigonal bipyramids and corners with two equivalent V(2)O5 trigonal bipyramids. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mg(1) and one V(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the third O site, O(3) is bonded in a T-shaped geometry to one Mg(1), one V(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a T-shaped geometry to one Mg(1), one V(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(2) and one P(1) atom. In the seventh O site, O(7) is bonded in a T-shaped geometry to one Mg(1), one V(2), and one P(1) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one V(2) and one P(2) atom. In the ninth O site, O(9) is bonded in a T-shaped geometry to one Mg(1), one V(2), and one P(2) atom. In the tenth O site, O(10) is bonded in a single-bond geometry to one V(1) atom. is represented by the CIF card [CIF]
data_MgV2(PO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.417
_cell_length_b   6.301
_cell_length_c   6.305
_cell_angle_alpha   88.667
_cell_angle_beta   90.084
_cell_angle_gamma   89.666
_symmetry_Int_Tables_number   1
_cell_volume   215.137
_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  0.313  0.562  0.944  1.0
  V  V1  1  0.241  0.233  0.276  1.0
  V  V2  1  0.765  0.762  0.739  1.0
  P  P3  1  0.501  0.241  0.749  1.0
  P  P4  1  0.508  0.756  0.265  1.0
  O  O5  1  0.064  0.723  0.785  1.0
  O  O6  1  0.300  0.230  0.581  1.0
  O  O7  1  0.362  0.241  0.967  1.0
  O  O8  1  0.357  0.544  0.263  1.0
  O  O9  1  0.321  0.932  0.295  1.0
  O  O10  1  0.701  0.071  0.731  1.0
  O  O11  1  0.608  0.474  0.742  1.0
  O  O12  1  0.716  0.756  0.428  1.0
  O  O13  1  0.604  0.767  0.028  1.0
  O  O14  1  0.945  0.260  0.241  1.0
[/CIF]
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The structure described by MgV2(PO5)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), one O(7), and one O(9) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(10), one O(2), one O(3), one O(4), and one O(5) atom to form distorted VO5 trigonal bipyramids that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. In the second V site, V(2) is bonded to one O(1), one O(6), one O(7), one O(8), and one O(9) atom to form distorted VO5 trigonal bipyramids that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O5 trigonal bipyramids and corners with two equivalent V(2)O5 trigonal bipyramids. In the second P site, P(2) is bonded to one O(4), one O(5), one O(8), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O5 trigonal bipyramids and corners with two equivalent V(2)O5 trigonal bipyramids. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mg(1) and one V(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the third O site, O(3) is bonded in a T-shaped geometry to one Mg(1), one V(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a T-shaped geometry to one Mg(1), one V(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(2) and one P(1) atom. In the seventh O site, O(7) is bonded in a T-shaped geometry to one Mg(1), one V(2), and one P(1) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one V(2) and one P(2) atom. In the ninth O site, O(9) is bonded in a T-shaped geometry to one Mg(1), one V(2), and one P(2) atom. In the tenth O site, O(10) is bonded in a single-bond geometry to one V(1) atom. is represented by the CIF card [CIF]
data_MgV2(PO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.417
_cell_length_b   6.301
_cell_length_c   6.305
_cell_angle_alpha   88.667
_cell_angle_beta   90.084
_cell_angle_gamma   89.666
_symmetry_Int_Tables_number   1
_cell_volume   215.137
_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  0.313  0.562  0.944  1.0
  V  V1  1  0.241  0.233  0.276  1.0
  V  V2  1  0.765  0.762  0.739  1.0
  P  P3  1  0.501  0.241  0.749  1.0
  P  P4  1  0.508  0.756  0.265  1.0
  O  O5  1  0.064  0.723  0.785  1.0
  O  O6  1  0.300  0.230  0.581  1.0
  O  O7  1  0.362  0.241  0.967  1.0
  O  O8  1  0.357  0.544  0.263  1.0
  O  O9  1  0.321  0.932  0.295  1.0
  O  O10  1  0.701  0.071  0.731  1.0
  O  O11  1  0.608  0.474  0.742  1.0
  O  O12  1  0.716  0.756  0.428  1.0
  O  O13  1  0.604  0.767  0.028  1.0
  O  O14  1  0.945  0.260  0.241  1.0
[/CIF]
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