The material structure described by ErScGe crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Er sites. In the first Er site, Er(1) is bonded in a 7-coordinate geometry to two equivalent Sc(2), one Ge(2), two equivalent Ge(1), and two equivalent Ge(3) atoms. In the second Er site, Er(2) is bonded in a 7-coordinate geometry to two equivalent Sc(2), one Ge(2), two equivalent Ge(1), and two equivalent Ge(4) atoms. In the third Er site, Er(3) is bonded in a 7-coordinate geometry to two equivalent Sc(2), one Ge(4), two equivalent Ge(1), and two equivalent Ge(3) atoms. In the fourth Er site, Er(4) is bonded in a 7-coordinate geometry to one Ge(4), two equivalent Ge(1), two equivalent Ge(2), and two equivalent Ge(3) atoms. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 4-coordinate geometry to two equivalent Sc(2), one Ge(2), one Ge(4), and two equivalent Ge(3) atoms. In the second Sc site, Sc(2) is bonded in a 13-coordinate geometry to one Er(2), two equivalent Er(1), two equivalent Er(3), four equivalent Sc(1), two equivalent Ge(1), and two equivalent Ge(3) atoms. There are four inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 6-coordinate geometry to one Er(2), one Er(4), two equivalent Er(1), two equivalent Er(3), and two equivalent Sc(2) atoms. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to one Er(2), two equivalent Er(1), two equivalent Er(4), and four equivalent Sc(1) atoms. In the third Ge site, Ge(3) is bonded in a 9-coordinate geometry to one Er(4), two equivalent Er(1), two equivalent Er(3), two equivalent Sc(2), and four equivalent Sc(1) atoms. In the fourth Ge site, Ge(4) is bonded in a 9-coordinate geometry to one Er(4), two equivalent Er(2), two equivalent Er(3), and four equivalent Sc(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_ErScGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.085
_cell_length_b   8.749
_cell_length_c   9.076
_cell_angle_alpha   58.756
_cell_angle_beta   89.999
_cell_angle_gamma   89.989
_symmetry_Int_Tables_number   1
_cell_volume   413.085
_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  0.750  0.255  0.720  1.0
  Er  Er1  1  0.750  0.745  0.976  1.0
  Er  Er2  1  0.750  1.000  0.290  1.0
  Er  Er3  1  0.250  0.738  0.267  1.0
  Er  Er4  1  0.250  0.262  0.005  1.0
  Er  Er5  1  0.250  0.000  0.737  1.0
  Sc  Sc6  1  0.499  0.313  0.346  1.0
  Sc  Sc7  1  0.499  0.687  0.659  1.0
  Sc  Sc8  1  0.001  0.687  0.659  1.0
  Sc  Sc9  1  0.001  0.313  0.346  1.0
  Sc  Sc10  1  0.750  0.611  0.384  1.0
  Sc  Sc11  1  0.750  0.389  0.996  1.0
  Ge  Ge12  1  0.524  0.000  0.014  1.0
  Ge  Ge13  1  0.976  0.000  0.014  1.0
  Ge  Ge14  1  0.750  1.000  0.607  1.0
  Ge  Ge15  1  0.250  0.399  0.595  1.0
  Ge  Ge16  1  0.250  0.601  0.993  1.0
  Ge  Ge17  1  0.250  0.000  0.394  1.0
[/CIF]
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The material structure described by ErScGe crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Er sites. In the first Er site, Er(1) is bonded in a 7-coordinate geometry to two equivalent Sc(2), one Ge(2), two equivalent Ge(1), and two equivalent Ge(3) atoms. In the second Er site, Er(2) is bonded in a 7-coordinate geometry to two equivalent Sc(2), one Ge(2), two equivalent Ge(1), and two equivalent Ge(4) atoms. In the third Er site, Er(3) is bonded in a 7-coordinate geometry to two equivalent Sc(2), one Ge(4), two equivalent Ge(1), and two equivalent Ge(3) atoms. In the fourth Er site, Er(4) is bonded in a 7-coordinate geometry to one Ge(4), two equivalent Ge(1), two equivalent Ge(2), and two equivalent Ge(3) atoms. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 4-coordinate geometry to two equivalent Sc(2), one Ge(2), one Ge(4), and two equivalent Ge(3) atoms. In the second Sc site, Sc(2) is bonded in a 13-coordinate geometry to one Er(2), two equivalent Er(1), two equivalent Er(3), four equivalent Sc(1), two equivalent Ge(1), and two equivalent Ge(3) atoms. There are four inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 6-coordinate geometry to one Er(2), one Er(4), two equivalent Er(1), two equivalent Er(3), and two equivalent Sc(2) atoms. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to one Er(2), two equivalent Er(1), two equivalent Er(4), and four equivalent Sc(1) atoms. In the third Ge site, Ge(3) is bonded in a 9-coordinate geometry to one Er(4), two equivalent Er(1), two equivalent Er(3), two equivalent Sc(2), and four equivalent Sc(1) atoms. In the fourth Ge site, Ge(4) is bonded in a 9-coordinate geometry to one Er(4), two equivalent Er(2), two equivalent Er(3), and four equivalent Sc(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_ErScGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.085
_cell_length_b   8.749
_cell_length_c   9.076
_cell_angle_alpha   58.756
_cell_angle_beta   89.999
_cell_angle_gamma   89.989
_symmetry_Int_Tables_number   1
_cell_volume   413.085
_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  0.750  0.255  0.720  1.0
  Er  Er1  1  0.750  0.745  0.976  1.0
  Er  Er2  1  0.750  1.000  0.290  1.0
  Er  Er3  1  0.250  0.738  0.267  1.0
  Er  Er4  1  0.250  0.262  0.005  1.0
  Er  Er5  1  0.250  0.000  0.737  1.0
  Sc  Sc6  1  0.499  0.313  0.346  1.0
  Sc  Sc7  1  0.499  0.687  0.659  1.0
  Sc  Sc8  1  0.001  0.687  0.659  1.0
  Sc  Sc9  1  0.001  0.313  0.346  1.0
  Sc  Sc10  1  0.750  0.611  0.384  1.0
  Sc  Sc11  1  0.750  0.389  0.996  1.0
  Ge  Ge12  1  0.524  0.000  0.014  1.0
  Ge  Ge13  1  0.976  0.000  0.014  1.0
  Ge  Ge14  1  0.750  1.000  0.607  1.0
  Ge  Ge15  1  0.250  0.399  0.595  1.0
  Ge  Ge16  1  0.250  0.601  0.993  1.0
  Ge  Ge17  1  0.250  0.000  0.394  1.0
[/CIF]
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