The material described by MgVMnP2(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 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 Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. 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 Mn(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 52-53°. Mn(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 MnO6 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 Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-48°. 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 Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-48°. 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 Mn(1), and one H(2) atom. In the second O site, O(2) is bonded in a 2-coordinate 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 Mn(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 Mn(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 Mn(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 Mn(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 2-coordinate 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 Mn(1), and one H(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMnVP2(HO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.446
_cell_length_b   7.437
_cell_length_c   5.232
_cell_angle_alpha   111.267
_cell_angle_beta   95.195
_cell_angle_gamma   108.079
_symmetry_Int_Tables_number   1
_cell_volume   182.714
_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  0.506  0.003  0.995  1.0
  Mn  Mn1  1  0.006  0.002  0.995  1.0
  V  V2  1  0.006  0.502  0.995  1.0
  P  P3  1  0.361  0.256  0.633  1.0
  P  P4  1  0.650  0.748  0.357  1.0
  H  H5  1  0.968  0.310  0.322  1.0
  H  H6  1  0.044  0.694  0.668  1.0
  O  O7  1  0.119  0.760  0.876  1.0
  O  O8  1  0.157  0.365  0.667  1.0
  O  O9  1  0.360  0.598  0.251  1.0
  O  O10  1  0.320  0.131  0.306  1.0
  O  O11  1  0.303  0.103  0.774  1.0
  O  O12  1  0.709  0.901  0.215  1.0
  O  O13  1  0.691  0.874  0.683  1.0
  O  O14  1  0.652  0.406  0.738  1.0
  O  O15  1  0.855  0.640  0.322  1.0
  O  O16  1  0.893  0.244  0.114  1.0
[/CIF]
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The material described by MgVMnP2(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 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 Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. 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 Mn(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 52-53°. Mn(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 MnO6 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 Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-48°. 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 Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-48°. 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 Mn(1), and one H(2) atom. In the second O site, O(2) is bonded in a 2-coordinate 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 Mn(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 Mn(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 Mn(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 Mn(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 2-coordinate 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 Mn(1), and one H(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMnVP2(HO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.446
_cell_length_b   7.437
_cell_length_c   5.232
_cell_angle_alpha   111.267
_cell_angle_beta   95.195
_cell_angle_gamma   108.079
_symmetry_Int_Tables_number   1
_cell_volume   182.714
_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  0.506  0.003  0.995  1.0
  Mn  Mn1  1  0.006  0.002  0.995  1.0
  V  V2  1  0.006  0.502  0.995  1.0
  P  P3  1  0.361  0.256  0.633  1.0
  P  P4  1  0.650  0.748  0.357  1.0
  H  H5  1  0.968  0.310  0.322  1.0
  H  H6  1  0.044  0.694  0.668  1.0
  O  O7  1  0.119  0.760  0.876  1.0
  O  O8  1  0.157  0.365  0.667  1.0
  O  O9  1  0.360  0.598  0.251  1.0
  O  O10  1  0.320  0.131  0.306  1.0
  O  O11  1  0.303  0.103  0.774  1.0
  O  O12  1  0.709  0.901  0.215  1.0
  O  O13  1  0.691  0.874  0.683  1.0
  O  O14  1  0.652  0.406  0.738  1.0
  O  O15  1  0.855  0.640  0.322  1.0
  O  O16  1  0.893  0.244  0.114  1.0
[/CIF]
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