The material described by BaMgV2Ni3(HO5)2 crystallizes in the triclinic P1 space group. Ba(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(6), one O(7), and one O(8) atom. Mg(1) is bonded in a 5-coordinate geometry to one O(2), one O(5), one O(7), one O(8), and one O(9) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(5), and one O(8) atom to form VO4 tetrahedra that share corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, and  a cornercorner with one Ni(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 54-71°. In the second V site, V(2) is bonded to one O(3), one O(4), one O(6), and one O(7) atom to form VO4 tetrahedra that share corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, and corners with two equivalent Ni(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 52-61°. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(10), one O(3), one O(4), and one O(9) atom to form NiO5 square pyramids that share  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one V(1)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra,  an edgeedge with one Ni(3)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles are 78°. In the second Ni site, Ni(2) is bonded to one O(1), one O(10), one O(3), one O(5), one O(6), and one O(9) atom to form NiO6 octahedra that share corners with two equivalent V(1)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Ni(1)O5 square pyramids. In the third Ni site, Ni(3) is bonded to one O(10), one O(2), one O(4), one O(5), one O(6), and one O(9) atom to form distorted NiO6 octahedra that share  a cornercorner with one Ni(1)O5 square pyramid, corners with two equivalent V(1)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, edges with two equivalent Ni(2)O6 octahedra, and  an edgeedge with one Ni(1)O5 square pyramid. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(9) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(10) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ba(1), one V(1), one Ni(1), and one Ni(2) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Ba(1), one Mg(1), one V(1), and one Ni(3) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ba(1), one V(2), one Ni(1), and one Ni(2) atom. In the fourth O site, O(4) is bonded in a distorted tetrahedral geometry to one Ba(1), one V(2), one Ni(1), and one Ni(3) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Mg(1), one V(1), one Ni(2), and one Ni(3) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ba(1), one V(2), one Ni(2), and one Ni(3) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one Mg(1), and one V(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Ba(1), one Mg(1), and one V(1) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Mg(1), one Ni(1), one Ni(2), one Ni(3), and one H(1) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Ni(1), one Ni(2), one Ni(3), and one H(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaMgV2Ni3(HO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.076
_cell_length_b   5.959
_cell_length_c   8.112
_cell_angle_alpha   64.332
_cell_angle_beta   69.653
_cell_angle_gamma   61.172
_symmetry_Int_Tables_number   1
_cell_volume   228.275
_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
  Ba  Ba0  1  0.122  0.412  0.456  1.0
  Mg  Mg1  1  0.551  0.749  0.658  1.0
  V  V2  1  0.547  0.143  0.759  1.0
  V  V3  1  0.456  0.891  0.241  1.0
  Ni  Ni4  1  0.017  0.004  0.007  1.0
  Ni  Ni5  1  0.005  0.508  0.006  1.0
  Ni  Ni6  1  0.511  0.502  0.021  1.0
  H  H7  1  0.146  0.804  0.733  1.0
  H  H8  1  0.764  0.196  0.284  1.0
  O  O9  1  0.208  0.263  0.827  1.0
  O  O10  1  0.713  0.331  0.757  1.0
  O  O11  1  0.802  0.763  0.171  1.0
  O  O12  1  0.298  0.759  0.169  1.0
  O  O13  1  0.699  0.756  0.847  1.0
  O  O14  1  0.314  0.265  0.146  1.0
  O  O15  1  0.338  0.824  0.485  1.0
  O  O16  1  0.587  0.117  0.530  1.0
  O  O17  1  0.202  0.763  0.848  1.0
  O  O18  1  0.813  0.262  0.147  1.0
[/CIF]
.
The material described by BaMgV2Ni3(HO5)2 crystallizes in the triclinic P1 space group. Ba(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(6), one O(7), and one O(8) atom. Mg(1) is bonded in a 5-coordinate geometry to one O(2), one O(5), one O(7), one O(8), and one O(9) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(5), and one O(8) atom to form VO4 tetrahedra that share corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, and  a cornercorner with one Ni(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 54-71°. In the second V site, V(2) is bonded to one O(3), one O(4), one O(6), and one O(7) atom to form VO4 tetrahedra that share corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, and corners with two equivalent Ni(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 52-61°. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(10), one O(3), one O(4), and one O(9) atom to form NiO5 square pyramids that share  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one V(1)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra,  an edgeedge with one Ni(3)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles are 78°. In the second Ni site, Ni(2) is bonded to one O(1), one O(10), one O(3), one O(5), one O(6), and one O(9) atom to form NiO6 octahedra that share corners with two equivalent V(1)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Ni(1)O5 square pyramids. In the third Ni site, Ni(3) is bonded to one O(10), one O(2), one O(4), one O(5), one O(6), and one O(9) atom to form distorted NiO6 octahedra that share  a cornercorner with one Ni(1)O5 square pyramid, corners with two equivalent V(1)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, edges with two equivalent Ni(2)O6 octahedra, and  an edgeedge with one Ni(1)O5 square pyramid. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(9) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(10) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ba(1), one V(1), one Ni(1), and one Ni(2) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Ba(1), one Mg(1), one V(1), and one Ni(3) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ba(1), one V(2), one Ni(1), and one Ni(2) atom. In the fourth O site, O(4) is bonded in a distorted tetrahedral geometry to one Ba(1), one V(2), one Ni(1), and one Ni(3) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Mg(1), one V(1), one Ni(2), and one Ni(3) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ba(1), one V(2), one Ni(2), and one Ni(3) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one Mg(1), and one V(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Ba(1), one Mg(1), and one V(1) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Mg(1), one Ni(1), one Ni(2), one Ni(3), and one H(1) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Ni(1), one Ni(2), one Ni(3), and one H(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaMgV2Ni3(HO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.076
_cell_length_b   5.959
_cell_length_c   8.112
_cell_angle_alpha   64.332
_cell_angle_beta   69.653
_cell_angle_gamma   61.172
_symmetry_Int_Tables_number   1
_cell_volume   228.275
_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
  Ba  Ba0  1  0.122  0.412  0.456  1.0
  Mg  Mg1  1  0.551  0.749  0.658  1.0
  V  V2  1  0.547  0.143  0.759  1.0
  V  V3  1  0.456  0.891  0.241  1.0
  Ni  Ni4  1  0.017  0.004  0.007  1.0
  Ni  Ni5  1  0.005  0.508  0.006  1.0
  Ni  Ni6  1  0.511  0.502  0.021  1.0
  H  H7  1  0.146  0.804  0.733  1.0
  H  H8  1  0.764  0.196  0.284  1.0
  O  O9  1  0.208  0.263  0.827  1.0
  O  O10  1  0.713  0.331  0.757  1.0
  O  O11  1  0.802  0.763  0.171  1.0
  O  O12  1  0.298  0.759  0.169  1.0
  O  O13  1  0.699  0.756  0.847  1.0
  O  O14  1  0.314  0.265  0.146  1.0
  O  O15  1  0.338  0.824  0.485  1.0
  O  O16  1  0.587  0.117  0.530  1.0
  O  O17  1  0.202  0.763  0.848  1.0
  O  O18  1  0.813  0.262  0.147  1.0
[/CIF]
.