The material described by CaMgVO5 is Esseneite-like structured and crystallizes in the orthorhombic P2_12_12_1 space group. Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. Mg(1) is bonded to one O(3), one O(5), two equivalent O(1), and two equivalent O(2) atoms to form MgO6 octahedra that share corners with four equivalent V(1)O4 tetrahedra and edges with two equivalent Mg(1)O6 octahedra. V(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form VO4 tetrahedra that share corners with four equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-58°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), two equivalent Mg(1), and one V(1) atom to form distorted corner-sharing OCaMg2V trigonal pyramids. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one Ca(1) and two equivalent Mg(1) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one Mg(1), and one V(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one V(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one Mg(1), and one V(1) atom. is represented by the CIF file [CIF]
data_CaMgVO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.057
_cell_length_b   7.429
_cell_length_c   9.159
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   412.159
_cell_formula_units_Z   4
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
  Ca  Ca0  1  0.474  0.129  0.336  1.0
  Ca  Ca1  1  0.026  0.871  0.836  1.0
  Ca  Ca2  1  0.526  0.629  0.164  1.0
  Ca  Ca3  1  0.974  0.371  0.664  1.0
  Mg  Mg4  1  0.254  0.258  0.995  1.0
  Mg  Mg5  1  0.246  0.742  0.495  1.0
  Mg  Mg6  1  0.746  0.758  0.505  1.0
  Mg  Mg7  1  0.754  0.242  0.005  1.0
  V  V8  1  0.015  0.381  0.318  1.0
  V  V9  1  0.485  0.619  0.818  1.0
  V  V10  1  0.985  0.881  0.182  1.0
  V  V11  1  0.515  0.119  0.682  1.0
  O  O12  1  0.012  0.064  0.060  1.0
  O  O13  1  0.488  0.936  0.560  1.0
  O  O14  1  0.988  0.564  0.440  1.0
  O  O15  1  0.512  0.436  0.940  1.0
  O  O16  1  0.495  0.113  0.087  1.0
  O  O17  1  0.005  0.887  0.587  1.0
  O  O18  1  0.505  0.613  0.413  1.0
  O  O19  1  0.995  0.387  0.913  1.0
  O  O20  1  0.264  0.152  0.777  1.0
  O  O21  1  0.236  0.848  0.277  1.0
  O  O22  1  0.736  0.652  0.723  1.0
  O  O23  1  0.764  0.348  0.223  1.0
  O  O24  1  0.077  0.209  0.435  1.0
  O  O25  1  0.423  0.791  0.935  1.0
  O  O26  1  0.923  0.709  0.065  1.0
  O  O27  1  0.577  0.291  0.565  1.0
  O  O28  1  0.245  0.391  0.202  1.0
  O  O29  1  0.255  0.609  0.702  1.0
  O  O30  1  0.755  0.891  0.298  1.0
  O  O31  1  0.745  0.109  0.798  1.0
[/CIF]
.
The material described by CaMgVO5 is Esseneite-like structured and crystallizes in the orthorhombic P2_12_12_1 space group. Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. Mg(1) is bonded to one O(3), one O(5), two equivalent O(1), and two equivalent O(2) atoms to form MgO6 octahedra that share corners with four equivalent V(1)O4 tetrahedra and edges with two equivalent Mg(1)O6 octahedra. V(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form VO4 tetrahedra that share corners with four equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-58°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), two equivalent Mg(1), and one V(1) atom to form distorted corner-sharing OCaMg2V trigonal pyramids. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one Ca(1) and two equivalent Mg(1) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one Mg(1), and one V(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one V(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one Mg(1), and one V(1) atom. is represented by the CIF file [CIF]
data_CaMgVO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.057
_cell_length_b   7.429
_cell_length_c   9.159
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   412.159
_cell_formula_units_Z   4
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
  Ca  Ca0  1  0.474  0.129  0.336  1.0
  Ca  Ca1  1  0.026  0.871  0.836  1.0
  Ca  Ca2  1  0.526  0.629  0.164  1.0
  Ca  Ca3  1  0.974  0.371  0.664  1.0
  Mg  Mg4  1  0.254  0.258  0.995  1.0
  Mg  Mg5  1  0.246  0.742  0.495  1.0
  Mg  Mg6  1  0.746  0.758  0.505  1.0
  Mg  Mg7  1  0.754  0.242  0.005  1.0
  V  V8  1  0.015  0.381  0.318  1.0
  V  V9  1  0.485  0.619  0.818  1.0
  V  V10  1  0.985  0.881  0.182  1.0
  V  V11  1  0.515  0.119  0.682  1.0
  O  O12  1  0.012  0.064  0.060  1.0
  O  O13  1  0.488  0.936  0.560  1.0
  O  O14  1  0.988  0.564  0.440  1.0
  O  O15  1  0.512  0.436  0.940  1.0
  O  O16  1  0.495  0.113  0.087  1.0
  O  O17  1  0.005  0.887  0.587  1.0
  O  O18  1  0.505  0.613  0.413  1.0
  O  O19  1  0.995  0.387  0.913  1.0
  O  O20  1  0.264  0.152  0.777  1.0
  O  O21  1  0.236  0.848  0.277  1.0
  O  O22  1  0.736  0.652  0.723  1.0
  O  O23  1  0.764  0.348  0.223  1.0
  O  O24  1  0.077  0.209  0.435  1.0
  O  O25  1  0.423  0.791  0.935  1.0
  O  O26  1  0.923  0.709  0.065  1.0
  O  O27  1  0.577  0.291  0.565  1.0
  O  O28  1  0.245  0.391  0.202  1.0
  O  O29  1  0.255  0.609  0.702  1.0
  O  O30  1  0.755  0.891  0.298  1.0
  O  O31  1  0.745  0.109  0.798  1.0
[/CIF]
.