The compound described by Ca3V3(AsO4)4 is Esseneite-like structured and crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(7), and one O(8) atom. In the second Ca site, Ca(2) is bonded to two equivalent O(2), two equivalent O(6), and two equivalent O(8) atoms to form CaO6 octahedra that share corners with two equivalent As(2)O4 tetrahedra, corners with four equivalent As(1)O4 tetrahedra, and edges with two equivalent V(1)O6 octahedra. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(8) atom to form distorted VO6 octahedra that share  a cornercorner with one As(2)O4 tetrahedra, corners with three equivalent As(1)O4 tetrahedra,  an edgeedge with one Ca(2)O6 octahedra, and  an edgeedge with one As(2)O4 tetrahedra. In the second V site, V(2) is bonded in a square co-planar geometry to two equivalent O(5) and two equivalent O(7) atoms. There are two inequivalent As sites. In the first As site, As(1) is bonded to one O(1), one O(4), one O(6), and one O(8) atom to form AsO4 tetrahedra that share corners with two equivalent Ca(2)O6 octahedra and corners with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-63°. In the second As site, As(2) is bonded to one O(2), one O(3), one O(5), and one O(7) atom to form AsO4 tetrahedra that share  a cornercorner with one Ca(2)O6 octahedra,  a cornercorner with one V(1)O6 octahedra, and  an edgeedge with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-54°. There are eight inequivalent O sites. In the first O site, O(7) is bonded to one Ca(1), one V(1), one V(2), and one As(2) atom to form distorted OCaV2As tetrahedra that share  a cornercorner with one O(7)CaV2As tetrahedra, corners with two equivalent O(8)Ca2VAs tetrahedra,  a cornercorner with one O(5)CaV2As trigonal pyramid, and edges with two equivalent O(5)CaV2As trigonal pyramids. In the second O site, O(8) is bonded to one Ca(1), one Ca(2), one V(1), and one As(1) atom to form distorted OCa2VAs tetrahedra that share  a cornercorner with one O(8)Ca2VAs tetrahedra, corners with two equivalent O(7)CaV2As tetrahedra, and corners with two equivalent O(5)CaV2As trigonal pyramids. In the third O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Ca(1), one V(1), and one As(1) atom. In the fourth O site, O(2) is bonded in a distorted trigonal planar geometry to one Ca(2), one V(1), and one As(2) atom. In the fifth O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Ca(1) and one As(2) atom. In the sixth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ca(1), one V(1), and one As(1) atom. In the seventh O site, O(5) is bonded to one Ca(1), one V(1), one V(2), and one As(2) atom to form distorted OCaV2As trigonal pyramids that share  a cornercorner with one O(7)CaV2As tetrahedra, corners with two equivalent O(8)Ca2VAs tetrahedra,  a cornercorner with one O(5)CaV2As trigonal pyramid, and edges with two equivalent O(7)CaV2As tetrahedra. In the eighth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Ca(2) and one As(1) atom. is represented by the CIF file [CIF]
data_Ca3V3(AsO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.295
_cell_length_b   9.117
_cell_length_c   17.407
_cell_angle_alpha   65.187
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   762.718
_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
  Ca  Ca0  1  0.540  0.291  0.232  1.0
  Ca  Ca1  1  0.040  0.709  0.268  1.0
  Ca  Ca2  1  0.460  0.709  0.768  1.0
  Ca  Ca3  1  0.960  0.291  0.732  1.0
  Ca  Ca4  1  0.500  0.000  0.500  1.0
  Ca  Ca5  1  0.000  0.000  0.000  1.0
  V  V6  1  0.459  0.217  0.622  1.0
  V  V7  1  0.541  0.783  0.378  1.0
  V  V8  1  0.959  0.783  0.878  1.0
  V  V9  1  0.041  0.217  0.122  1.0
  V  V10  1  0.000  0.500  0.500  1.0
  V  V11  1  0.500  0.500  0.000  1.0
  As  As12  1  0.022  0.042  0.345  1.0
  As  As13  1  0.474  0.440  0.399  1.0
  As  As14  1  0.974  0.560  0.101  1.0
  As  As15  1  0.026  0.440  0.899  1.0
  As  As16  1  0.978  0.958  0.655  1.0
  As  As17  1  0.526  0.560  0.601  1.0
  As  As18  1  0.478  0.042  0.845  1.0
  As  As19  1  0.522  0.958  0.155  1.0
  O  O20  1  0.469  0.804  0.255  1.0
  O  O21  1  0.937  0.735  0.011  1.0
  O  O22  1  0.400  0.423  0.310  1.0
  O  O23  1  0.415  0.136  0.157  1.0
  O  O24  1  0.600  0.577  0.690  1.0
  O  O25  1  0.031  0.804  0.755  1.0
  O  O26  1  0.900  0.577  0.190  1.0
  O  O27  1  0.741  0.541  0.897  1.0
  O  O28  1  0.645  0.092  0.913  1.0
  O  O29  1  0.531  0.196  0.745  1.0
  O  O30  1  0.085  0.136  0.657  1.0
  O  O31  1  0.259  0.459  0.103  1.0
  O  O32  1  0.269  0.586  0.406  1.0
  O  O33  1  0.355  0.908  0.087  1.0
  O  O34  1  0.652  0.982  0.637  1.0
  O  O35  1  0.152  0.018  0.863  1.0
  O  O36  1  0.769  0.414  0.094  1.0
  O  O37  1  0.100  0.423  0.810  1.0
  O  O38  1  0.145  0.908  0.587  1.0
  O  O39  1  0.241  0.459  0.603  1.0
  O  O40  1  0.848  0.982  0.137  1.0
  O  O41  1  0.348  0.018  0.363  1.0
  O  O42  1  0.063  0.265  0.989  1.0
  O  O43  1  0.437  0.265  0.489  1.0
  O  O44  1  0.731  0.414  0.594  1.0
  O  O45  1  0.969  0.196  0.245  1.0
  O  O46  1  0.585  0.864  0.843  1.0
  O  O47  1  0.855  0.092  0.413  1.0
  O  O48  1  0.563  0.735  0.511  1.0
  O  O49  1  0.759  0.541  0.397  1.0
  O  O50  1  0.231  0.586  0.906  1.0
  O  O51  1  0.915  0.864  0.343  1.0
[/CIF]
.
The compound described by Ca3V3(AsO4)4 is Esseneite-like structured and crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(7), and one O(8) atom. In the second Ca site, Ca(2) is bonded to two equivalent O(2), two equivalent O(6), and two equivalent O(8) atoms to form CaO6 octahedra that share corners with two equivalent As(2)O4 tetrahedra, corners with four equivalent As(1)O4 tetrahedra, and edges with two equivalent V(1)O6 octahedra. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(8) atom to form distorted VO6 octahedra that share  a cornercorner with one As(2)O4 tetrahedra, corners with three equivalent As(1)O4 tetrahedra,  an edgeedge with one Ca(2)O6 octahedra, and  an edgeedge with one As(2)O4 tetrahedra. In the second V site, V(2) is bonded in a square co-planar geometry to two equivalent O(5) and two equivalent O(7) atoms. There are two inequivalent As sites. In the first As site, As(1) is bonded to one O(1), one O(4), one O(6), and one O(8) atom to form AsO4 tetrahedra that share corners with two equivalent Ca(2)O6 octahedra and corners with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-63°. In the second As site, As(2) is bonded to one O(2), one O(3), one O(5), and one O(7) atom to form AsO4 tetrahedra that share  a cornercorner with one Ca(2)O6 octahedra,  a cornercorner with one V(1)O6 octahedra, and  an edgeedge with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-54°. There are eight inequivalent O sites. In the first O site, O(7) is bonded to one Ca(1), one V(1), one V(2), and one As(2) atom to form distorted OCaV2As tetrahedra that share  a cornercorner with one O(7)CaV2As tetrahedra, corners with two equivalent O(8)Ca2VAs tetrahedra,  a cornercorner with one O(5)CaV2As trigonal pyramid, and edges with two equivalent O(5)CaV2As trigonal pyramids. In the second O site, O(8) is bonded to one Ca(1), one Ca(2), one V(1), and one As(1) atom to form distorted OCa2VAs tetrahedra that share  a cornercorner with one O(8)Ca2VAs tetrahedra, corners with two equivalent O(7)CaV2As tetrahedra, and corners with two equivalent O(5)CaV2As trigonal pyramids. In the third O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Ca(1), one V(1), and one As(1) atom. In the fourth O site, O(2) is bonded in a distorted trigonal planar geometry to one Ca(2), one V(1), and one As(2) atom. In the fifth O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Ca(1) and one As(2) atom. In the sixth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ca(1), one V(1), and one As(1) atom. In the seventh O site, O(5) is bonded to one Ca(1), one V(1), one V(2), and one As(2) atom to form distorted OCaV2As trigonal pyramids that share  a cornercorner with one O(7)CaV2As tetrahedra, corners with two equivalent O(8)Ca2VAs tetrahedra,  a cornercorner with one O(5)CaV2As trigonal pyramid, and edges with two equivalent O(7)CaV2As tetrahedra. In the eighth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Ca(2) and one As(1) atom. is represented by the CIF file [CIF]
data_Ca3V3(AsO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.295
_cell_length_b   9.117
_cell_length_c   17.407
_cell_angle_alpha   65.187
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   762.718
_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
  Ca  Ca0  1  0.540  0.291  0.232  1.0
  Ca  Ca1  1  0.040  0.709  0.268  1.0
  Ca  Ca2  1  0.460  0.709  0.768  1.0
  Ca  Ca3  1  0.960  0.291  0.732  1.0
  Ca  Ca4  1  0.500  0.000  0.500  1.0
  Ca  Ca5  1  0.000  0.000  0.000  1.0
  V  V6  1  0.459  0.217  0.622  1.0
  V  V7  1  0.541  0.783  0.378  1.0
  V  V8  1  0.959  0.783  0.878  1.0
  V  V9  1  0.041  0.217  0.122  1.0
  V  V10  1  0.000  0.500  0.500  1.0
  V  V11  1  0.500  0.500  0.000  1.0
  As  As12  1  0.022  0.042  0.345  1.0
  As  As13  1  0.474  0.440  0.399  1.0
  As  As14  1  0.974  0.560  0.101  1.0
  As  As15  1  0.026  0.440  0.899  1.0
  As  As16  1  0.978  0.958  0.655  1.0
  As  As17  1  0.526  0.560  0.601  1.0
  As  As18  1  0.478  0.042  0.845  1.0
  As  As19  1  0.522  0.958  0.155  1.0
  O  O20  1  0.469  0.804  0.255  1.0
  O  O21  1  0.937  0.735  0.011  1.0
  O  O22  1  0.400  0.423  0.310  1.0
  O  O23  1  0.415  0.136  0.157  1.0
  O  O24  1  0.600  0.577  0.690  1.0
  O  O25  1  0.031  0.804  0.755  1.0
  O  O26  1  0.900  0.577  0.190  1.0
  O  O27  1  0.741  0.541  0.897  1.0
  O  O28  1  0.645  0.092  0.913  1.0
  O  O29  1  0.531  0.196  0.745  1.0
  O  O30  1  0.085  0.136  0.657  1.0
  O  O31  1  0.259  0.459  0.103  1.0
  O  O32  1  0.269  0.586  0.406  1.0
  O  O33  1  0.355  0.908  0.087  1.0
  O  O34  1  0.652  0.982  0.637  1.0
  O  O35  1  0.152  0.018  0.863  1.0
  O  O36  1  0.769  0.414  0.094  1.0
  O  O37  1  0.100  0.423  0.810  1.0
  O  O38  1  0.145  0.908  0.587  1.0
  O  O39  1  0.241  0.459  0.603  1.0
  O  O40  1  0.848  0.982  0.137  1.0
  O  O41  1  0.348  0.018  0.363  1.0
  O  O42  1  0.063  0.265  0.989  1.0
  O  O43  1  0.437  0.265  0.489  1.0
  O  O44  1  0.731  0.414  0.594  1.0
  O  O45  1  0.969  0.196  0.245  1.0
  O  O46  1  0.585  0.864  0.843  1.0
  O  O47  1  0.855  0.092  0.413  1.0
  O  O48  1  0.563  0.735  0.511  1.0
  O  O49  1  0.759  0.541  0.397  1.0
  O  O50  1  0.231  0.586  0.906  1.0
  O  O51  1  0.915  0.864  0.343  1.0
[/CIF]
.