The material described by CrAsO5 crystallizes in the orthorhombic P2_12_12_1 space group. Cr(1) is bonded to one O(1), one O(4), one O(5), and two equivalent O(2) atoms to form distorted CrO5 trigonal bipyramids that share corners with four equivalent As(1)O4 tetrahedra and corners with two equivalent Cr(1)O5 trigonal bipyramids. As(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form AsO4 tetrahedra that share corners with four equivalent Cr(1)O5 trigonal bipyramids. There are five inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Cr(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Cr(1) and one As(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to one As(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Cr(1) and one As(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Cr(1) and one As(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CrAsO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.534
_cell_length_b   7.401
_cell_length_c   7.435
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   359.546
_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
  Cr  Cr0  1  0.449  0.216  0.522  1.0
  Cr  Cr1  1  0.551  0.716  0.978  1.0
  Cr  Cr2  1  0.051  0.784  0.022  1.0
  Cr  Cr3  1  0.949  0.284  0.478  1.0
  As  As4  1  0.256  0.418  0.130  1.0
  As  As5  1  0.744  0.918  0.370  1.0
  As  As6  1  0.244  0.582  0.630  1.0
  As  As7  1  0.756  0.082  0.870  1.0
  O  O8  1  0.801  0.403  0.361  1.0
  O  O9  1  0.199  0.903  0.139  1.0
  O  O10  1  0.699  0.597  0.861  1.0
  O  O11  1  0.301  0.097  0.639  1.0
  O  O12  1  0.221  0.323  0.356  1.0
  O  O13  1  0.779  0.823  0.144  1.0
  O  O14  1  0.279  0.677  0.856  1.0
  O  O15  1  0.721  0.177  0.644  1.0
  O  O16  1  0.302  0.264  0.978  1.0
  O  O17  1  0.698  0.764  0.522  1.0
  O  O18  1  0.198  0.736  0.478  1.0
  O  O19  1  0.802  0.236  0.022  1.0
  O  O20  1  0.035  0.552  0.111  1.0
  O  O21  1  0.965  0.052  0.389  1.0
  O  O22  1  0.465  0.448  0.611  1.0
  O  O23  1  0.535  0.948  0.889  1.0
  O  O24  1  0.454  0.577  0.167  1.0
  O  O25  1  0.546  0.077  0.333  1.0
  O  O26  1  0.046  0.423  0.667  1.0
  O  O27  1  0.954  0.923  0.833  1.0
[/CIF]
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The material described by CrAsO5 crystallizes in the orthorhombic P2_12_12_1 space group. Cr(1) is bonded to one O(1), one O(4), one O(5), and two equivalent O(2) atoms to form distorted CrO5 trigonal bipyramids that share corners with four equivalent As(1)O4 tetrahedra and corners with two equivalent Cr(1)O5 trigonal bipyramids. As(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form AsO4 tetrahedra that share corners with four equivalent Cr(1)O5 trigonal bipyramids. There are five inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Cr(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Cr(1) and one As(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to one As(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Cr(1) and one As(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Cr(1) and one As(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CrAsO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.534
_cell_length_b   7.401
_cell_length_c   7.435
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   359.546
_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
  Cr  Cr0  1  0.449  0.216  0.522  1.0
  Cr  Cr1  1  0.551  0.716  0.978  1.0
  Cr  Cr2  1  0.051  0.784  0.022  1.0
  Cr  Cr3  1  0.949  0.284  0.478  1.0
  As  As4  1  0.256  0.418  0.130  1.0
  As  As5  1  0.744  0.918  0.370  1.0
  As  As6  1  0.244  0.582  0.630  1.0
  As  As7  1  0.756  0.082  0.870  1.0
  O  O8  1  0.801  0.403  0.361  1.0
  O  O9  1  0.199  0.903  0.139  1.0
  O  O10  1  0.699  0.597  0.861  1.0
  O  O11  1  0.301  0.097  0.639  1.0
  O  O12  1  0.221  0.323  0.356  1.0
  O  O13  1  0.779  0.823  0.144  1.0
  O  O14  1  0.279  0.677  0.856  1.0
  O  O15  1  0.721  0.177  0.644  1.0
  O  O16  1  0.302  0.264  0.978  1.0
  O  O17  1  0.698  0.764  0.522  1.0
  O  O18  1  0.198  0.736  0.478  1.0
  O  O19  1  0.802  0.236  0.022  1.0
  O  O20  1  0.035  0.552  0.111  1.0
  O  O21  1  0.965  0.052  0.389  1.0
  O  O22  1  0.465  0.448  0.611  1.0
  O  O23  1  0.535  0.948  0.889  1.0
  O  O24  1  0.454  0.577  0.167  1.0
  O  O25  1  0.546  0.077  0.333  1.0
  O  O26  1  0.046  0.423  0.667  1.0
  O  O27  1  0.954  0.923  0.833  1.0
[/CIF]
.