The material described by MgV4ZnO10 crystallizes in the monoclinic Pm space group. Mg(1) is bonded in a 5-coordinate geometry to one O(2) and four equivalent O(5) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form a mixture of distorted corner and edge-sharing VO5 trigonal bipyramids. In the second V site, V(2) is bonded to one O(1), one O(3), one O(6), and two equivalent O(4) atoms to form a mixture of distorted corner and edge-sharing VO5 trigonal bipyramids. Zn(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded to two equivalent V(2) and two equivalent Zn(1) atoms to form corner-sharing OV2Zn2 tetrahedra. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mg(1) and two equivalent V(1) atoms. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to one V(2) and two equivalent V(1) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one V(1), two equivalent V(2), and one Zn(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Mg(1) and one V(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(2) and one Zn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgV4ZnO10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.521
_cell_length_b   5.338
_cell_length_c   11.775
_cell_angle_alpha   90.015
_cell_angle_beta   89.982
_cell_angle_gamma   105.357
_symmetry_Int_Tables_number   1
_cell_volume   213.397
_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  0.596  0.972  0.250  1.0
  V  V1  1  0.225  0.427  0.102  1.0
  V  V2  1  0.788  0.583  0.900  1.0
  V  V3  1  0.789  0.583  0.600  1.0
  V  V4  1  0.226  0.427  0.398  1.0
  Zn  Zn5  1  0.116  0.179  0.750  1.0
  O  O6  1  0.697  0.386  0.750  1.0
  O  O7  1  0.313  0.603  0.250  1.0
  O  O8  1  0.777  0.558  0.069  1.0
  O  O9  1  0.230  0.441  0.930  1.0
  O  O10  1  0.778  0.557  0.431  1.0
  O  O11  1  0.230  0.441  0.570  1.0
  O  O12  1  0.104  0.107  0.357  1.0
  O  O13  1  0.933  0.900  0.632  1.0
  O  O14  1  0.933  0.900  0.868  1.0
  O  O15  1  0.102  0.107  0.142  1.0
[/CIF]
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The material described by MgV4ZnO10 crystallizes in the monoclinic Pm space group. Mg(1) is bonded in a 5-coordinate geometry to one O(2) and four equivalent O(5) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form a mixture of distorted corner and edge-sharing VO5 trigonal bipyramids. In the second V site, V(2) is bonded to one O(1), one O(3), one O(6), and two equivalent O(4) atoms to form a mixture of distorted corner and edge-sharing VO5 trigonal bipyramids. Zn(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded to two equivalent V(2) and two equivalent Zn(1) atoms to form corner-sharing OV2Zn2 tetrahedra. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mg(1) and two equivalent V(1) atoms. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to one V(2) and two equivalent V(1) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one V(1), two equivalent V(2), and one Zn(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Mg(1) and one V(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(2) and one Zn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgV4ZnO10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.521
_cell_length_b   5.338
_cell_length_c   11.775
_cell_angle_alpha   90.015
_cell_angle_beta   89.982
_cell_angle_gamma   105.357
_symmetry_Int_Tables_number   1
_cell_volume   213.397
_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  0.596  0.972  0.250  1.0
  V  V1  1  0.225  0.427  0.102  1.0
  V  V2  1  0.788  0.583  0.900  1.0
  V  V3  1  0.789  0.583  0.600  1.0
  V  V4  1  0.226  0.427  0.398  1.0
  Zn  Zn5  1  0.116  0.179  0.750  1.0
  O  O6  1  0.697  0.386  0.750  1.0
  O  O7  1  0.313  0.603  0.250  1.0
  O  O8  1  0.777  0.558  0.069  1.0
  O  O9  1  0.230  0.441  0.930  1.0
  O  O10  1  0.778  0.557  0.431  1.0
  O  O11  1  0.230  0.441  0.570  1.0
  O  O12  1  0.104  0.107  0.357  1.0
  O  O13  1  0.933  0.900  0.632  1.0
  O  O14  1  0.933  0.900  0.868  1.0
  O  O15  1  0.102  0.107  0.142  1.0
[/CIF]
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