The material described by BaCu2Ge3(HO5)2 crystallizes in the orthorhombic Cmcm space group. Ba(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(5), and four equivalent O(3) atoms. Cu(1) is bonded in a distorted square co-planar geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to one O(1), one O(4), and two equivalent O(3) atoms to form GeO4 tetrahedra that share corners with two equivalent Ge(2)O6 octahedra and  a cornercorner with one Ge(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 55°. In the second Ge site, Ge(2) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form corner-sharing GeO6 octahedra. H(1) is bonded in a single-bond geometry to one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Ba(1), two equivalent Cu(1), and one Ge(1) atom to form distorted corner-sharing OBaCu2Ge tetrahedra. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to two equivalent Cu(1) and one Ge(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ba(1), one Cu(1), one Ge(1), and one Ge(2) atom. In the fourth O site, O(4) is bonded in a linear geometry to two equivalent Ge(1) atoms. In the fifth O site, O(5) is bonded in a water-like geometry to two equivalent Ba(1) and two equivalent H(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaCu2Ge3(HO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.648
_cell_length_b   6.290
_cell_length_c   13.832
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   116.677
_symmetry_Int_Tables_number   1
_cell_volume   439.053
_cell_formula_units_Z   2
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
  Ba  Ba0  1  0.339  0.678  0.750  1.0
  Ba  Ba1  1  0.661  0.322  0.250  1.0
  Cu  Cu2  1  0.000  0.500  0.000  1.0
  Cu  Cu3  1  0.500  0.500  0.000  1.0
  Cu  Cu4  1  0.000  0.500  0.500  1.0
  Cu  Cu5  1  0.500  0.500  0.500  1.0
  Ge  Ge6  1  0.030  0.060  0.877  1.0
  Ge  Ge7  1  0.970  0.940  0.123  1.0
  Ge  Ge8  1  0.030  0.060  0.623  1.0
  Ge  Ge9  1  0.970  0.940  0.377  1.0
  Ge  Ge10  1  0.500  0.000  0.000  1.0
  Ge  Ge11  1  0.500  0.000  0.500  1.0
  H  H12  1  0.304  0.609  0.191  1.0
  H  H13  1  0.696  0.391  0.809  1.0
  H  H14  1  0.304  0.609  0.309  1.0
  H  H15  1  0.696  0.391  0.691  1.0
  O  O16  1  0.183  0.366  0.912  1.0
  O  O17  1  0.817  0.634  0.088  1.0
  O  O18  1  0.183  0.366  0.588  1.0
  O  O19  1  0.817  0.634  0.412  1.0
  O  O20  1  0.346  0.693  0.055  1.0
  O  O21  1  0.654  0.307  0.945  1.0
  O  O22  1  0.346  0.693  0.445  1.0
  O  O23  1  0.654  0.307  0.555  1.0
  O  O24  1  0.208  0.897  0.907  1.0
  O  O25  1  0.310  0.103  0.093  1.0
  O  O26  1  0.208  0.897  0.593  1.0
  O  O27  1  0.310  0.103  0.407  1.0
  O  O28  1  0.792  0.103  0.093  1.0
  O  O29  1  0.690  0.897  0.907  1.0
  O  O30  1  0.792  0.103  0.407  1.0
  O  O31  1  0.690  0.897  0.593  1.0
  O  O32  1  0.041  0.082  0.750  1.0
  O  O33  1  0.959  0.918  0.250  1.0
  O  O34  1  0.254  0.508  0.250  1.0
  O  O35  1  0.746  0.492  0.750  1.0
[/CIF]
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The material described by BaCu2Ge3(HO5)2 crystallizes in the orthorhombic Cmcm space group. Ba(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(5), and four equivalent O(3) atoms. Cu(1) is bonded in a distorted square co-planar geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to one O(1), one O(4), and two equivalent O(3) atoms to form GeO4 tetrahedra that share corners with two equivalent Ge(2)O6 octahedra and  a cornercorner with one Ge(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 55°. In the second Ge site, Ge(2) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form corner-sharing GeO6 octahedra. H(1) is bonded in a single-bond geometry to one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Ba(1), two equivalent Cu(1), and one Ge(1) atom to form distorted corner-sharing OBaCu2Ge tetrahedra. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to two equivalent Cu(1) and one Ge(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ba(1), one Cu(1), one Ge(1), and one Ge(2) atom. In the fourth O site, O(4) is bonded in a linear geometry to two equivalent Ge(1) atoms. In the fifth O site, O(5) is bonded in a water-like geometry to two equivalent Ba(1) and two equivalent H(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaCu2Ge3(HO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.648
_cell_length_b   6.290
_cell_length_c   13.832
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   116.677
_symmetry_Int_Tables_number   1
_cell_volume   439.053
_cell_formula_units_Z   2
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
  Ba  Ba0  1  0.339  0.678  0.750  1.0
  Ba  Ba1  1  0.661  0.322  0.250  1.0
  Cu  Cu2  1  0.000  0.500  0.000  1.0
  Cu  Cu3  1  0.500  0.500  0.000  1.0
  Cu  Cu4  1  0.000  0.500  0.500  1.0
  Cu  Cu5  1  0.500  0.500  0.500  1.0
  Ge  Ge6  1  0.030  0.060  0.877  1.0
  Ge  Ge7  1  0.970  0.940  0.123  1.0
  Ge  Ge8  1  0.030  0.060  0.623  1.0
  Ge  Ge9  1  0.970  0.940  0.377  1.0
  Ge  Ge10  1  0.500  0.000  0.000  1.0
  Ge  Ge11  1  0.500  0.000  0.500  1.0
  H  H12  1  0.304  0.609  0.191  1.0
  H  H13  1  0.696  0.391  0.809  1.0
  H  H14  1  0.304  0.609  0.309  1.0
  H  H15  1  0.696  0.391  0.691  1.0
  O  O16  1  0.183  0.366  0.912  1.0
  O  O17  1  0.817  0.634  0.088  1.0
  O  O18  1  0.183  0.366  0.588  1.0
  O  O19  1  0.817  0.634  0.412  1.0
  O  O20  1  0.346  0.693  0.055  1.0
  O  O21  1  0.654  0.307  0.945  1.0
  O  O22  1  0.346  0.693  0.445  1.0
  O  O23  1  0.654  0.307  0.555  1.0
  O  O24  1  0.208  0.897  0.907  1.0
  O  O25  1  0.310  0.103  0.093  1.0
  O  O26  1  0.208  0.897  0.593  1.0
  O  O27  1  0.310  0.103  0.407  1.0
  O  O28  1  0.792  0.103  0.093  1.0
  O  O29  1  0.690  0.897  0.907  1.0
  O  O30  1  0.792  0.103  0.407  1.0
  O  O31  1  0.690  0.897  0.593  1.0
  O  O32  1  0.041  0.082  0.750  1.0
  O  O33  1  0.959  0.918  0.250  1.0
  O  O34  1  0.254  0.508  0.250  1.0
  O  O35  1  0.746  0.492  0.750  1.0
[/CIF]
.