The structure described by Cu3(AsO4)2 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(3), one O(4), and two equivalent O(2) atoms to form CuO5 trigonal bipyramids that share corners with five equivalent As(1)O4 tetrahedra and corners with two equivalent Cu(1)O5 trigonal bipyramids. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(3) atoms. As(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form AsO4 tetrahedra that share corners with five equivalent Cu(1)O5 trigonal bipyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Cu(1), one Cu(2), and one As(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Cu(1) and one As(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Cu(1), one Cu(2), and one As(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Cu(1) and one As(1) atom. is represented by the CIF card [CIF]
data_Cu3(AsO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.090
_cell_length_b   5.417
_cell_length_c   11.579
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   111.720
_symmetry_Int_Tables_number   1
_cell_volume   296.599
_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
  Cu  Cu0  1  0.244  0.862  0.163  1.0
  Cu  Cu1  1  0.744  0.862  0.337  1.0
  Cu  Cu2  1  0.000  0.500  0.500  1.0
  Cu  Cu3  1  0.256  0.138  0.663  1.0
  Cu  Cu4  1  0.500  0.500  0.000  1.0
  Cu  Cu5  1  0.756  0.138  0.837  1.0
  As  As6  1  0.892  0.266  0.115  1.0
  As  As7  1  0.608  0.734  0.615  1.0
  As  As8  1  0.392  0.266  0.385  1.0
  As  As9  1  0.108  0.734  0.885  1.0
  O  O10  1  0.788  0.729  0.489  1.0
  O  O11  1  0.670  0.992  0.188  1.0
  O  O12  1  0.170  0.992  0.312  1.0
  O  O13  1  0.697  0.220  0.417  1.0
  O  O14  1  0.407  0.543  0.314  1.0
  O  O15  1  0.288  0.729  0.011  1.0
  O  O16  1  0.830  0.008  0.688  1.0
  O  O17  1  0.303  0.780  0.583  1.0
  O  O18  1  0.212  0.271  0.511  1.0
  O  O19  1  0.907  0.543  0.186  1.0
  O  O20  1  0.803  0.780  0.917  1.0
  O  O21  1  0.197  0.220  0.083  1.0
  O  O22  1  0.593  0.457  0.686  1.0
  O  O23  1  0.330  0.008  0.812  1.0
  O  O24  1  0.093  0.457  0.814  1.0
  O  O25  1  0.712  0.271  0.989  1.0
[/CIF]
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The structure described by Cu3(AsO4)2 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(3), one O(4), and two equivalent O(2) atoms to form CuO5 trigonal bipyramids that share corners with five equivalent As(1)O4 tetrahedra and corners with two equivalent Cu(1)O5 trigonal bipyramids. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(3) atoms. As(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form AsO4 tetrahedra that share corners with five equivalent Cu(1)O5 trigonal bipyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Cu(1), one Cu(2), and one As(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Cu(1) and one As(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Cu(1), one Cu(2), and one As(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Cu(1) and one As(1) atom. is represented by the CIF card [CIF]
data_Cu3(AsO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.090
_cell_length_b   5.417
_cell_length_c   11.579
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   111.720
_symmetry_Int_Tables_number   1
_cell_volume   296.599
_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
  Cu  Cu0  1  0.244  0.862  0.163  1.0
  Cu  Cu1  1  0.744  0.862  0.337  1.0
  Cu  Cu2  1  0.000  0.500  0.500  1.0
  Cu  Cu3  1  0.256  0.138  0.663  1.0
  Cu  Cu4  1  0.500  0.500  0.000  1.0
  Cu  Cu5  1  0.756  0.138  0.837  1.0
  As  As6  1  0.892  0.266  0.115  1.0
  As  As7  1  0.608  0.734  0.615  1.0
  As  As8  1  0.392  0.266  0.385  1.0
  As  As9  1  0.108  0.734  0.885  1.0
  O  O10  1  0.788  0.729  0.489  1.0
  O  O11  1  0.670  0.992  0.188  1.0
  O  O12  1  0.170  0.992  0.312  1.0
  O  O13  1  0.697  0.220  0.417  1.0
  O  O14  1  0.407  0.543  0.314  1.0
  O  O15  1  0.288  0.729  0.011  1.0
  O  O16  1  0.830  0.008  0.688  1.0
  O  O17  1  0.303  0.780  0.583  1.0
  O  O18  1  0.212  0.271  0.511  1.0
  O  O19  1  0.907  0.543  0.186  1.0
  O  O20  1  0.803  0.780  0.917  1.0
  O  O21  1  0.197  0.220  0.083  1.0
  O  O22  1  0.593  0.457  0.686  1.0
  O  O23  1  0.330  0.008  0.812  1.0
  O  O24  1  0.093  0.457  0.814  1.0
  O  O25  1  0.712  0.271  0.989  1.0
[/CIF]
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