The compound described by CaV2O10 crystallizes in the triclinic P-1 space group. Ca(1) is bonded in a 6-coordinate geometry to one O(4), one O(6), one O(7), one O(9), and two equivalent O(8) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 5-coordinate geometry to one O(2), one O(5), one O(6), and two equivalent O(1) atoms. In the second V site, V(2) is bonded to one O(1), one O(4), one O(7), and two equivalent O(2) atoms to form distorted edge-sharing VO5 tetrahedra. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one V(2) and two equivalent V(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one V(1) and two equivalent V(2) atoms. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one O(10) and one O(9) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Ca(1) and one V(2) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one V(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Ca(1) and one V(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Ca(1) and one V(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one O(8) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Ca(1) and one O(3) atom. In the tenth O site, O(10) is bonded in a single-bond geometry to one O(3) atom. is represented by the CIF file [CIF]
data_CaV2O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.857
_cell_length_b   8.001
_cell_length_c   9.092
_cell_angle_alpha   106.950
_cell_angle_beta   97.448
_cell_angle_gamma   115.330
_symmetry_Int_Tables_number   1
_cell_volume   412.159
_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  0.911  0.649  0.851  1.0
  Ca  Ca1  1  0.089  0.351  0.149  1.0
  V  V2  1  0.456  0.102  0.665  1.0
  V  V3  1  0.544  0.898  0.335  1.0
  V  V4  1  0.933  0.049  0.675  1.0
  V  V5  1  0.067  0.951  0.325  1.0
  O  O6  1  0.687  0.062  0.576  1.0
  O  O7  1  0.313  0.938  0.424  1.0
  O  O8  1  0.189  0.125  0.617  1.0
  O  O9  1  0.811  0.875  0.383  1.0
  O  O10  1  0.321  0.551  0.693  1.0
  O  O11  1  0.679  0.449  0.307  1.0
  O  O12  1  0.858  0.829  0.696  1.0
  O  O13  1  0.142  0.171  0.304  1.0
  O  O14  1  0.405  0.964  0.772  1.0
  O  O15  1  0.595  0.036  0.228  1.0
  O  O16  1  0.637  0.346  0.791  1.0
  O  O17  1  0.363  0.654  0.209  1.0
  O  O18  1  0.016  0.232  0.861  1.0
  O  O19  1  0.984  0.768  0.139  1.0
  O  O20  1  0.897  0.975  0.992  1.0
  O  O21  1  0.103  0.025  0.008  1.0
  O  O22  1  0.212  0.564  0.800  1.0
  O  O23  1  0.788  0.436  0.200  1.0
  O  O24  1  0.765  0.463  0.446  1.0
  O  O25  1  0.235  0.537  0.554  1.0
[/CIF]
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The compound described by CaV2O10 crystallizes in the triclinic P-1 space group. Ca(1) is bonded in a 6-coordinate geometry to one O(4), one O(6), one O(7), one O(9), and two equivalent O(8) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 5-coordinate geometry to one O(2), one O(5), one O(6), and two equivalent O(1) atoms. In the second V site, V(2) is bonded to one O(1), one O(4), one O(7), and two equivalent O(2) atoms to form distorted edge-sharing VO5 tetrahedra. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one V(2) and two equivalent V(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one V(1) and two equivalent V(2) atoms. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one O(10) and one O(9) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Ca(1) and one V(2) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one V(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Ca(1) and one V(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Ca(1) and one V(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one O(8) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Ca(1) and one O(3) atom. In the tenth O site, O(10) is bonded in a single-bond geometry to one O(3) atom. is represented by the CIF file [CIF]
data_CaV2O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.857
_cell_length_b   8.001
_cell_length_c   9.092
_cell_angle_alpha   106.950
_cell_angle_beta   97.448
_cell_angle_gamma   115.330
_symmetry_Int_Tables_number   1
_cell_volume   412.159
_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  0.911  0.649  0.851  1.0
  Ca  Ca1  1  0.089  0.351  0.149  1.0
  V  V2  1  0.456  0.102  0.665  1.0
  V  V3  1  0.544  0.898  0.335  1.0
  V  V4  1  0.933  0.049  0.675  1.0
  V  V5  1  0.067  0.951  0.325  1.0
  O  O6  1  0.687  0.062  0.576  1.0
  O  O7  1  0.313  0.938  0.424  1.0
  O  O8  1  0.189  0.125  0.617  1.0
  O  O9  1  0.811  0.875  0.383  1.0
  O  O10  1  0.321  0.551  0.693  1.0
  O  O11  1  0.679  0.449  0.307  1.0
  O  O12  1  0.858  0.829  0.696  1.0
  O  O13  1  0.142  0.171  0.304  1.0
  O  O14  1  0.405  0.964  0.772  1.0
  O  O15  1  0.595  0.036  0.228  1.0
  O  O16  1  0.637  0.346  0.791  1.0
  O  O17  1  0.363  0.654  0.209  1.0
  O  O18  1  0.016  0.232  0.861  1.0
  O  O19  1  0.984  0.768  0.139  1.0
  O  O20  1  0.897  0.975  0.992  1.0
  O  O21  1  0.103  0.025  0.008  1.0
  O  O22  1  0.212  0.564  0.800  1.0
  O  O23  1  0.788  0.436  0.200  1.0
  O  O24  1  0.765  0.463  0.446  1.0
  O  O25  1  0.235  0.537  0.554  1.0
[/CIF]
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