The material structure described by MgV4Zn2O12 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 5-coordinate geometry to one O(1), one O(11), one O(3), one O(6), and one O(8) atom. There are four inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(3), one O(4), one O(7), and one O(8) atom. In the second V site, V(2) is bonded in a 5-coordinate geometry to one O(12), one O(3), one O(4), one O(7), and one O(8) atom. In the third V site, V(3) is bonded to one O(1), one O(12), one O(2), one O(5), one O(6), and one O(9) atom to form distorted corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 26-46°. In the fourth V site, V(4) is bonded to one O(1), one O(10), one O(11), one O(2), one O(5), and one O(6) atom to form distorted corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 26-46°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(6), one O(8), and one O(9) atom. In the second Zn site, Zn(2) is bonded in a 5-coordinate geometry to one O(10), one O(2), one O(4), one O(5), and one O(7) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one V(3), one V(4), and one Zn(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(3), one V(4), and one Zn(2) atom. In the third O site, O(3) is bonded to one Mg(1), one V(1), one V(2), and one Zn(1) atom to form distorted edge-sharing OMgV2Zn tetrahedra. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one V(1), one V(2), and one Zn(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one V(3), one V(4), and one Zn(2) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one V(3), one V(4), and one Zn(1) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one V(1), one V(2), and one Zn(2) atom. In the eighth O site, O(8) is bonded to one Mg(1), one V(1), one V(2), and one Zn(1) atom to form distorted edge-sharing OMgV2Zn tetrahedra. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one V(3) and one Zn(1) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one V(1), one V(4), and one Zn(2) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Mg(1), one V(1), and one V(4) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one V(2) and one V(3) atom. is represented by the CIF card [CIF]
data_MgV4Zn2O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.016
_cell_length_b   5.342
_cell_length_c   7.752
_cell_angle_alpha   89.989
_cell_angle_beta   90.193
_cell_angle_gamma   89.986
_symmetry_Int_Tables_number   1
_cell_volume   207.700
_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  0.937  0.998  0.243  1.0
  V  V1  1  0.511  0.999  0.968  1.0
  V  V2  1  0.983  0.499  0.956  1.0
  V  V3  1  0.033  0.499  0.488  1.0
  V  V4  1  0.483  0.999  0.480  1.0
  Zn  Zn5  1  0.566  0.498  0.247  1.0
  Zn  Zn6  1  0.045  0.000  0.746  1.0
  O  O7  1  0.755  0.250  0.426  1.0
  O  O8  1  0.226  0.243  0.579  1.0
  O  O9  1  0.744  0.744  0.076  1.0
  O  O10  1  0.218  0.759  0.941  1.0
  O  O11  1  0.224  0.757  0.578  1.0
  O  O12  1  0.754  0.747  0.426  1.0
  O  O13  1  0.220  0.242  0.941  1.0
  O  O14  1  0.745  0.253  0.076  1.0
  O  O15  1  0.175  0.500  0.284  1.0
  O  O16  1  0.649  0.999  0.759  1.0
  O  O17  1  0.339  1.000  0.273  1.0
  O  O18  1  0.859  0.499  0.756  1.0
[/CIF]
.
The material structure described by MgV4Zn2O12 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 5-coordinate geometry to one O(1), one O(11), one O(3), one O(6), and one O(8) atom. There are four inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(3), one O(4), one O(7), and one O(8) atom. In the second V site, V(2) is bonded in a 5-coordinate geometry to one O(12), one O(3), one O(4), one O(7), and one O(8) atom. In the third V site, V(3) is bonded to one O(1), one O(12), one O(2), one O(5), one O(6), and one O(9) atom to form distorted corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 26-46°. In the fourth V site, V(4) is bonded to one O(1), one O(10), one O(11), one O(2), one O(5), and one O(6) atom to form distorted corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 26-46°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(6), one O(8), and one O(9) atom. In the second Zn site, Zn(2) is bonded in a 5-coordinate geometry to one O(10), one O(2), one O(4), one O(5), and one O(7) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one V(3), one V(4), and one Zn(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(3), one V(4), and one Zn(2) atom. In the third O site, O(3) is bonded to one Mg(1), one V(1), one V(2), and one Zn(1) atom to form distorted edge-sharing OMgV2Zn tetrahedra. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one V(1), one V(2), and one Zn(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one V(3), one V(4), and one Zn(2) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one V(3), one V(4), and one Zn(1) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one V(1), one V(2), and one Zn(2) atom. In the eighth O site, O(8) is bonded to one Mg(1), one V(1), one V(2), and one Zn(1) atom to form distorted edge-sharing OMgV2Zn tetrahedra. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one V(3) and one Zn(1) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one V(1), one V(4), and one Zn(2) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Mg(1), one V(1), and one V(4) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one V(2) and one V(3) atom. is represented by the CIF card [CIF]
data_MgV4Zn2O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.016
_cell_length_b   5.342
_cell_length_c   7.752
_cell_angle_alpha   89.989
_cell_angle_beta   90.193
_cell_angle_gamma   89.986
_symmetry_Int_Tables_number   1
_cell_volume   207.700
_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  0.937  0.998  0.243  1.0
  V  V1  1  0.511  0.999  0.968  1.0
  V  V2  1  0.983  0.499  0.956  1.0
  V  V3  1  0.033  0.499  0.488  1.0
  V  V4  1  0.483  0.999  0.480  1.0
  Zn  Zn5  1  0.566  0.498  0.247  1.0
  Zn  Zn6  1  0.045  0.000  0.746  1.0
  O  O7  1  0.755  0.250  0.426  1.0
  O  O8  1  0.226  0.243  0.579  1.0
  O  O9  1  0.744  0.744  0.076  1.0
  O  O10  1  0.218  0.759  0.941  1.0
  O  O11  1  0.224  0.757  0.578  1.0
  O  O12  1  0.754  0.747  0.426  1.0
  O  O13  1  0.220  0.242  0.941  1.0
  O  O14  1  0.745  0.253  0.076  1.0
  O  O15  1  0.175  0.500  0.284  1.0
  O  O16  1  0.649  0.999  0.759  1.0
  O  O17  1  0.339  1.000  0.273  1.0
  O  O18  1  0.859  0.499  0.756  1.0
[/CIF]
.