The crystal structure described by MgVCrP2(HO5)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(10), one O(4), one O(5), one O(6), and one O(7) atom to form distorted MgO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and faces with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 54°. V(1) is bonded to one O(1), one O(10), one O(2), one O(3), one O(8), and one O(9) atom to form VO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-54°. Cr(1) is bonded to one O(1), one O(10), one O(4), one O(5), one O(6), and one O(7) atom to form CrO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and faces with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(4), one O(5), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra, and corners with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-47°. In the second P site, P(2) is bonded to one O(3), one O(6), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra, and corners with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-48°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(10) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Mg(1), one V(1), one Cr(1), and one H(2) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mg(1), one Cr(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mg(1), one Cr(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Mg(1), one Cr(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mg(1), one Cr(1), 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(1) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Mg(1), one V(1), one Cr(1), and one H(1) atom. is represented by the CIF card [CIF]
data_MgVCrP2(HO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.430
_cell_length_b   7.503
_cell_length_c   5.188
_cell_angle_alpha   110.830
_cell_angle_beta   93.168
_cell_angle_gamma   109.826
_symmetry_Int_Tables_number   1
_cell_volume   182.076
_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  0.510  0.007  0.988  1.0
  V  V1  1  0.010  0.508  0.988  1.0
  Cr  Cr2  1  0.011  0.008  0.988  1.0
  P  P3  1  0.363  0.260  0.629  1.0
  P  P4  1  0.658  0.756  0.347  1.0
  H  H5  1  0.964  0.315  0.316  1.0
  H  H6  1  0.057  0.700  0.660  1.0
  O  O7  1  0.125  0.765  0.866  1.0
  O  O8  1  0.165  0.370  0.664  1.0
  O  O9  1  0.363  0.614  0.249  1.0
  O  O10  1  0.318  0.124  0.309  1.0
  O  O11  1  0.297  0.114  0.790  1.0
  O  O12  1  0.725  0.902  0.186  1.0
  O  O13  1  0.702  0.892  0.668  1.0
  O  O14  1  0.657  0.403  0.728  1.0
  O  O15  1  0.855  0.645  0.312  1.0
  O  O16  1  0.895  0.251  0.110  1.0
[/CIF]
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The crystal structure described by MgVCrP2(HO5)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(10), one O(4), one O(5), one O(6), and one O(7) atom to form distorted MgO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and faces with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 54°. V(1) is bonded to one O(1), one O(10), one O(2), one O(3), one O(8), and one O(9) atom to form VO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-54°. Cr(1) is bonded to one O(1), one O(10), one O(4), one O(5), one O(6), and one O(7) atom to form CrO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and faces with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(4), one O(5), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra, and corners with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-47°. In the second P site, P(2) is bonded to one O(3), one O(6), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra, and corners with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-48°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(10) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Mg(1), one V(1), one Cr(1), and one H(2) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mg(1), one Cr(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mg(1), one Cr(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Mg(1), one Cr(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mg(1), one Cr(1), 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(1) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Mg(1), one V(1), one Cr(1), and one H(1) atom. is represented by the CIF card [CIF]
data_MgVCrP2(HO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.430
_cell_length_b   7.503
_cell_length_c   5.188
_cell_angle_alpha   110.830
_cell_angle_beta   93.168
_cell_angle_gamma   109.826
_symmetry_Int_Tables_number   1
_cell_volume   182.076
_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  0.510  0.007  0.988  1.0
  V  V1  1  0.010  0.508  0.988  1.0
  Cr  Cr2  1  0.011  0.008  0.988  1.0
  P  P3  1  0.363  0.260  0.629  1.0
  P  P4  1  0.658  0.756  0.347  1.0
  H  H5  1  0.964  0.315  0.316  1.0
  H  H6  1  0.057  0.700  0.660  1.0
  O  O7  1  0.125  0.765  0.866  1.0
  O  O8  1  0.165  0.370  0.664  1.0
  O  O9  1  0.363  0.614  0.249  1.0
  O  O10  1  0.318  0.124  0.309  1.0
  O  O11  1  0.297  0.114  0.790  1.0
  O  O12  1  0.725  0.902  0.186  1.0
  O  O13  1  0.702  0.892  0.668  1.0
  O  O14  1  0.657  0.403  0.728  1.0
  O  O15  1  0.855  0.645  0.312  1.0
  O  O16  1  0.895  0.251  0.110  1.0
[/CIF]
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