The crystal structure described by ErInO3 crystallizes in the hexagonal P6_3cm space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded in a 7-coordinate geometry to one O(3), three equivalent O(1), and three equivalent O(2) atoms. In the second Er site, Er(2) is bonded to one O(4), three equivalent O(1), and three equivalent O(2) atoms to form distorted ErO7 pentagonal bipyramids that share corners with three equivalent In(1)O5 trigonal bipyramids and edges with three equivalent In(1)O5 trigonal bipyramids. In(1) is bonded to one O(1), one O(2), one O(4), and two equivalent O(3) atoms to form InO5 trigonal bipyramids that share  a cornercorner with one Er(2)O7 pentagonal bipyramid, corners with six equivalent In(1)O5 trigonal bipyramids, and  an edgeedge with one Er(2)O7 pentagonal bipyramid. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Er(2), two equivalent Er(1), and one In(1) atom to form OEr3In tetrahedra that share corners with two equivalent O(4)ErIn3 tetrahedra, corners with four equivalent O(2)Er3In tetrahedra, corners with six equivalent O(1)Er3In tetrahedra, edges with two equivalent O(3)ErIn3 tetrahedra, and edges with three equivalent O(2)Er3In tetrahedra. In the second O site, O(2) is bonded to one Er(2), two equivalent Er(1), and one In(1) atom to form OEr3In tetrahedra that share corners with four equivalent O(1)Er3In tetrahedra, corners with four equivalent O(3)ErIn3 tetrahedra, corners with six equivalent O(2)Er3In tetrahedra,  an edgeedge with one O(4)ErIn3 tetrahedra, and edges with three equivalent O(1)Er3In tetrahedra. In the third O site, O(3) is bonded to one Er(1) and three equivalent In(1) atoms to form distorted OErIn3 tetrahedra that share corners with three equivalent O(3)ErIn3 tetrahedra, corners with three equivalent O(4)ErIn3 tetrahedra, corners with six equivalent O(2)Er3In tetrahedra, and edges with three equivalent O(1)Er3In tetrahedra. In the fourth O site, O(4) is bonded to one Er(2) and three equivalent In(1) atoms to form OErIn3 tetrahedra that share corners with six equivalent O(1)Er3In tetrahedra, corners with six equivalent O(3)ErIn3 tetrahedra, and edges with three equivalent O(2)Er3In tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_ErInO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.238
_cell_length_b   6.238
_cell_length_c   12.217
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   411.762
_cell_formula_units_Z   6
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
  Er  Er0  1  0.333  0.667  0.230  1.0
  Er  Er1  1  0.000  0.000  0.266  1.0
  Er  Er2  1  1.000  0.000  0.766  1.0
  Er  Er3  1  0.333  0.667  0.730  1.0
  Er  Er4  1  0.667  0.333  0.730  1.0
  Er  Er5  1  0.667  0.333  0.230  1.0
  In  In6  1  1.000  0.667  0.496  1.0
  In  In7  1  0.000  0.333  0.996  1.0
  In  In8  1  0.333  0.333  0.496  1.0
  In  In9  1  0.667  0.667  0.996  1.0
  In  In10  1  0.333  0.000  0.996  1.0
  In  In11  1  0.667  1.000  0.496  1.0
  O  O12  1  0.000  0.696  0.668  1.0
  O  O13  1  0.000  0.635  0.326  1.0
  O  O14  1  0.000  0.365  0.826  1.0
  O  O15  1  0.000  0.304  0.168  1.0
  O  O16  1  0.333  0.667  0.027  1.0
  O  O17  1  0.000  0.000  0.461  1.0
  O  O18  1  1.000  1.000  0.961  1.0
  O  O19  1  0.333  0.667  0.527  1.0
  O  O20  1  0.304  0.304  0.668  1.0
  O  O21  1  0.365  0.365  0.326  1.0
  O  O22  1  0.304  0.000  0.168  1.0
  O  O23  1  0.635  0.635  0.826  1.0
  O  O24  1  0.696  0.696  0.168  1.0
  O  O25  1  0.365  0.000  0.826  1.0
  O  O26  1  0.667  0.333  0.527  1.0
  O  O27  1  0.667  0.333  0.027  1.0
  O  O28  1  0.635  0.000  0.326  1.0
  O  O29  1  0.696  0.000  0.668  1.0
[/CIF]
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The crystal structure described by ErInO3 crystallizes in the hexagonal P6_3cm space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded in a 7-coordinate geometry to one O(3), three equivalent O(1), and three equivalent O(2) atoms. In the second Er site, Er(2) is bonded to one O(4), three equivalent O(1), and three equivalent O(2) atoms to form distorted ErO7 pentagonal bipyramids that share corners with three equivalent In(1)O5 trigonal bipyramids and edges with three equivalent In(1)O5 trigonal bipyramids. In(1) is bonded to one O(1), one O(2), one O(4), and two equivalent O(3) atoms to form InO5 trigonal bipyramids that share  a cornercorner with one Er(2)O7 pentagonal bipyramid, corners with six equivalent In(1)O5 trigonal bipyramids, and  an edgeedge with one Er(2)O7 pentagonal bipyramid. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Er(2), two equivalent Er(1), and one In(1) atom to form OEr3In tetrahedra that share corners with two equivalent O(4)ErIn3 tetrahedra, corners with four equivalent O(2)Er3In tetrahedra, corners with six equivalent O(1)Er3In tetrahedra, edges with two equivalent O(3)ErIn3 tetrahedra, and edges with three equivalent O(2)Er3In tetrahedra. In the second O site, O(2) is bonded to one Er(2), two equivalent Er(1), and one In(1) atom to form OEr3In tetrahedra that share corners with four equivalent O(1)Er3In tetrahedra, corners with four equivalent O(3)ErIn3 tetrahedra, corners with six equivalent O(2)Er3In tetrahedra,  an edgeedge with one O(4)ErIn3 tetrahedra, and edges with three equivalent O(1)Er3In tetrahedra. In the third O site, O(3) is bonded to one Er(1) and three equivalent In(1) atoms to form distorted OErIn3 tetrahedra that share corners with three equivalent O(3)ErIn3 tetrahedra, corners with three equivalent O(4)ErIn3 tetrahedra, corners with six equivalent O(2)Er3In tetrahedra, and edges with three equivalent O(1)Er3In tetrahedra. In the fourth O site, O(4) is bonded to one Er(2) and three equivalent In(1) atoms to form OErIn3 tetrahedra that share corners with six equivalent O(1)Er3In tetrahedra, corners with six equivalent O(3)ErIn3 tetrahedra, and edges with three equivalent O(2)Er3In tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_ErInO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.238
_cell_length_b   6.238
_cell_length_c   12.217
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   411.762
_cell_formula_units_Z   6
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
  Er  Er0  1  0.333  0.667  0.230  1.0
  Er  Er1  1  0.000  0.000  0.266  1.0
  Er  Er2  1  1.000  0.000  0.766  1.0
  Er  Er3  1  0.333  0.667  0.730  1.0
  Er  Er4  1  0.667  0.333  0.730  1.0
  Er  Er5  1  0.667  0.333  0.230  1.0
  In  In6  1  1.000  0.667  0.496  1.0
  In  In7  1  0.000  0.333  0.996  1.0
  In  In8  1  0.333  0.333  0.496  1.0
  In  In9  1  0.667  0.667  0.996  1.0
  In  In10  1  0.333  0.000  0.996  1.0
  In  In11  1  0.667  1.000  0.496  1.0
  O  O12  1  0.000  0.696  0.668  1.0
  O  O13  1  0.000  0.635  0.326  1.0
  O  O14  1  0.000  0.365  0.826  1.0
  O  O15  1  0.000  0.304  0.168  1.0
  O  O16  1  0.333  0.667  0.027  1.0
  O  O17  1  0.000  0.000  0.461  1.0
  O  O18  1  1.000  1.000  0.961  1.0
  O  O19  1  0.333  0.667  0.527  1.0
  O  O20  1  0.304  0.304  0.668  1.0
  O  O21  1  0.365  0.365  0.326  1.0
  O  O22  1  0.304  0.000  0.168  1.0
  O  O23  1  0.635  0.635  0.826  1.0
  O  O24  1  0.696  0.696  0.168  1.0
  O  O25  1  0.365  0.000  0.826  1.0
  O  O26  1  0.667  0.333  0.527  1.0
  O  O27  1  0.667  0.333  0.027  1.0
  O  O28  1  0.635  0.000  0.326  1.0
  O  O29  1  0.696  0.000  0.668  1.0
[/CIF]
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