The material described by NbCrGe is alpha-derived structured and crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 16-coordinate geometry to one Nb(1); three Nb(2,2); three equivalent Cr(1); four equivalent Cr(2); one Ge(3); two equivalent Ge(1); and two equivalent Ge(2) atoms. In the second Nb site, Nb(2) is bonded in a 16-coordinate geometry to one Nb(2), three equivalent Nb(1), two equivalent Cr(2), three equivalent Cr(1), one Ge(1), two equivalent Ge(3), and four equivalent Ge(2) atoms. In the third Nb site, Nb(2) is bonded in a 16-coordinate geometry to one Nb(2); three Nb(1,1); two equivalent Cr(2); three equivalent Cr(1); one Ge(1); two equivalent Ge(3); and four equivalent Ge(2) atoms. In the fourth Nb site, Nb(1) is bonded in a 16-coordinate geometry to one Nb(1); three Nb(2,2); three equivalent Cr(1); four equivalent Cr(2); one Ge(3); two equivalent Ge(1); and two equivalent Ge(2) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 12-coordinate geometry to three equivalent Nb(1); three Nb(2,2); two equivalent Cr(2); one Ge(1); one Ge(3); and two equivalent Ge(2) atoms. In the second Cr site, Cr(2) is bonded to two Nb(2,2); four Nb(1,1); two equivalent Cr(1); two equivalent Cr(2); and two equivalent Ge(1) atoms to form distorted CrNb6Cr4Ge2 cuboctahedra that share corners with four equivalent Cr(2)Nb6Cr4Ge2 cuboctahedra, corners with four equivalent Ge(3)Nb6Cr2Ge4 cuboctahedra, corners with six equivalent Ge(2)Nb6Cr2Ge4 cuboctahedra, edges with two equivalent Cr(2)Nb6Cr4Ge2 cuboctahedra, edges with four equivalent Ge(2)Nb6Cr2Ge4 cuboctahedra, faces with two equivalent Ge(2)Nb6Cr2Ge4 cuboctahedra, faces with two equivalent Ge(3)Nb6Cr2Ge4 cuboctahedra, faces with four equivalent Cr(2)Nb6Cr4Ge2 cuboctahedra, and faces with four equivalent Ge(1)Nb6Cr6 cuboctahedra. There are three inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to two Nb(2,2); four Nb(1,1); two equivalent Cr(1); and four equivalent Cr(2) atoms to form GeNb6Cr6 cuboctahedra that share corners with two equivalent Ge(3)Nb6Cr2Ge4 cuboctahedra, corners with four equivalent Ge(1)Nb6Cr6 cuboctahedra, corners with eight equivalent Ge(2)Nb6Cr2Ge4 cuboctahedra, edges with two equivalent Ge(1)Nb6Cr6 cuboctahedra, edges with four equivalent Ge(3)Nb6Cr2Ge4 cuboctahedra, faces with four equivalent Ge(2)Nb6Cr2Ge4 cuboctahedra, and faces with eight equivalent Cr(2)Nb6Cr4Ge2 cuboctahedra. In the second Ge site, Ge(2) is bonded to two Nb(1,1); four Nb(2,2); two equivalent Cr(1); two equivalent Ge(2); and two equivalent Ge(3) atoms to form distorted GeNb6Cr2Ge4 cuboctahedra that share corners with four equivalent Ge(2)Nb6Cr2Ge4 cuboctahedra, corners with four equivalent Ge(1)Nb6Cr6 cuboctahedra, corners with six equivalent Cr(2)Nb6Cr4Ge2 cuboctahedra, edges with two equivalent Ge(2)Nb6Cr2Ge4 cuboctahedra, edges with four equivalent Cr(2)Nb6Cr4Ge2 cuboctahedra, faces with two equivalent Cr(2)Nb6Cr4Ge2 cuboctahedra, faces with two equivalent Ge(1)Nb6Cr6 cuboctahedra, faces with four equivalent Ge(2)Nb6Cr2Ge4 cuboctahedra, and faces with four equivalent Ge(3)Nb6Cr2Ge4 cuboctahedra. In the third Ge site, Ge(3) is bonded to two Nb(1,1); four Nb(2,2); two equivalent Cr(1); and four equivalent Ge(2) atoms to form distorted GeNb6Cr2Ge4 cuboctahedra that share corners with two equivalent Ge(1)Nb6Cr6 cuboctahedra, corners with four equivalent Ge(3)Nb6Cr2Ge4 cuboctahedra, corners with eight equivalent Cr(2)Nb6Cr4Ge2 cuboctahedra, edges with two equivalent Ge(3)Nb6Cr2Ge4 cuboctahedra, edges with four equivalent Ge(1)Nb6Cr6 cuboctahedra, faces with four equivalent Cr(2)Nb6Cr4Ge2 cuboctahedra, and faces with eight equivalent Ge(2)Nb6Cr2Ge4 cuboctahedra. is represented by the CIF file [CIF]
data_NbCrGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.186
_cell_length_b   5.186
_cell_length_c   7.811
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   121.914
_symmetry_Int_Tables_number   1
_cell_volume   178.332
_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
  Nb  Nb0  1  0.335  0.665  0.180  1.0
  Nb  Nb1  1  0.664  0.336  0.306  1.0
  Nb  Nb2  1  0.664  0.336  0.694  1.0
  Nb  Nb3  1  0.335  0.665  0.820  1.0
  Cr  Cr4  1  0.006  0.994  0.244  1.0
  Cr  Cr5  1  0.006  0.994  0.756  1.0
  Cr  Cr6  1  0.835  0.672  0.000  1.0
  Cr  Cr7  1  0.328  0.165  0.000  1.0
  Ge  Ge8  1  0.823  0.177  0.000  1.0
  Ge  Ge9  1  0.170  0.338  0.500  1.0
  Ge  Ge10  1  0.662  0.830  0.500  1.0
  Ge  Ge11  1  0.170  0.830  0.500  1.0
[/CIF]
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The material described by NbCrGe is alpha-derived structured and crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 16-coordinate geometry to one Nb(1); three Nb(2,2); three equivalent Cr(1); four equivalent Cr(2); one Ge(3); two equivalent Ge(1); and two equivalent Ge(2) atoms. In the second Nb site, Nb(2) is bonded in a 16-coordinate geometry to one Nb(2), three equivalent Nb(1), two equivalent Cr(2), three equivalent Cr(1), one Ge(1), two equivalent Ge(3), and four equivalent Ge(2) atoms. In the third Nb site, Nb(2) is bonded in a 16-coordinate geometry to one Nb(2); three Nb(1,1); two equivalent Cr(2); three equivalent Cr(1); one Ge(1); two equivalent Ge(3); and four equivalent Ge(2) atoms. In the fourth Nb site, Nb(1) is bonded in a 16-coordinate geometry to one Nb(1); three Nb(2,2); three equivalent Cr(1); four equivalent Cr(2); one Ge(3); two equivalent Ge(1); and two equivalent Ge(2) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 12-coordinate geometry to three equivalent Nb(1); three Nb(2,2); two equivalent Cr(2); one Ge(1); one Ge(3); and two equivalent Ge(2) atoms. In the second Cr site, Cr(2) is bonded to two Nb(2,2); four Nb(1,1); two equivalent Cr(1); two equivalent Cr(2); and two equivalent Ge(1) atoms to form distorted CrNb6Cr4Ge2 cuboctahedra that share corners with four equivalent Cr(2)Nb6Cr4Ge2 cuboctahedra, corners with four equivalent Ge(3)Nb6Cr2Ge4 cuboctahedra, corners with six equivalent Ge(2)Nb6Cr2Ge4 cuboctahedra, edges with two equivalent Cr(2)Nb6Cr4Ge2 cuboctahedra, edges with four equivalent Ge(2)Nb6Cr2Ge4 cuboctahedra, faces with two equivalent Ge(2)Nb6Cr2Ge4 cuboctahedra, faces with two equivalent Ge(3)Nb6Cr2Ge4 cuboctahedra, faces with four equivalent Cr(2)Nb6Cr4Ge2 cuboctahedra, and faces with four equivalent Ge(1)Nb6Cr6 cuboctahedra. There are three inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to two Nb(2,2); four Nb(1,1); two equivalent Cr(1); and four equivalent Cr(2) atoms to form GeNb6Cr6 cuboctahedra that share corners with two equivalent Ge(3)Nb6Cr2Ge4 cuboctahedra, corners with four equivalent Ge(1)Nb6Cr6 cuboctahedra, corners with eight equivalent Ge(2)Nb6Cr2Ge4 cuboctahedra, edges with two equivalent Ge(1)Nb6Cr6 cuboctahedra, edges with four equivalent Ge(3)Nb6Cr2Ge4 cuboctahedra, faces with four equivalent Ge(2)Nb6Cr2Ge4 cuboctahedra, and faces with eight equivalent Cr(2)Nb6Cr4Ge2 cuboctahedra. In the second Ge site, Ge(2) is bonded to two Nb(1,1); four Nb(2,2); two equivalent Cr(1); two equivalent Ge(2); and two equivalent Ge(3) atoms to form distorted GeNb6Cr2Ge4 cuboctahedra that share corners with four equivalent Ge(2)Nb6Cr2Ge4 cuboctahedra, corners with four equivalent Ge(1)Nb6Cr6 cuboctahedra, corners with six equivalent Cr(2)Nb6Cr4Ge2 cuboctahedra, edges with two equivalent Ge(2)Nb6Cr2Ge4 cuboctahedra, edges with four equivalent Cr(2)Nb6Cr4Ge2 cuboctahedra, faces with two equivalent Cr(2)Nb6Cr4Ge2 cuboctahedra, faces with two equivalent Ge(1)Nb6Cr6 cuboctahedra, faces with four equivalent Ge(2)Nb6Cr2Ge4 cuboctahedra, and faces with four equivalent Ge(3)Nb6Cr2Ge4 cuboctahedra. In the third Ge site, Ge(3) is bonded to two Nb(1,1); four Nb(2,2); two equivalent Cr(1); and four equivalent Ge(2) atoms to form distorted GeNb6Cr2Ge4 cuboctahedra that share corners with two equivalent Ge(1)Nb6Cr6 cuboctahedra, corners with four equivalent Ge(3)Nb6Cr2Ge4 cuboctahedra, corners with eight equivalent Cr(2)Nb6Cr4Ge2 cuboctahedra, edges with two equivalent Ge(3)Nb6Cr2Ge4 cuboctahedra, edges with four equivalent Ge(1)Nb6Cr6 cuboctahedra, faces with four equivalent Cr(2)Nb6Cr4Ge2 cuboctahedra, and faces with eight equivalent Ge(2)Nb6Cr2Ge4 cuboctahedra. is represented by the CIF file [CIF]
data_NbCrGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.186
_cell_length_b   5.186
_cell_length_c   7.811
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   121.914
_symmetry_Int_Tables_number   1
_cell_volume   178.332
_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
  Nb  Nb0  1  0.335  0.665  0.180  1.0
  Nb  Nb1  1  0.664  0.336  0.306  1.0
  Nb  Nb2  1  0.664  0.336  0.694  1.0
  Nb  Nb3  1  0.335  0.665  0.820  1.0
  Cr  Cr4  1  0.006  0.994  0.244  1.0
  Cr  Cr5  1  0.006  0.994  0.756  1.0
  Cr  Cr6  1  0.835  0.672  0.000  1.0
  Cr  Cr7  1  0.328  0.165  0.000  1.0
  Ge  Ge8  1  0.823  0.177  0.000  1.0
  Ge  Ge9  1  0.170  0.338  0.500  1.0
  Ge  Ge10  1  0.662  0.830  0.500  1.0
  Ge  Ge11  1  0.170  0.830  0.500  1.0
[/CIF]
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