The compound described by Ca2CoAs2(HO4)2 crystallizes in the monoclinic P2_1 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(6), one O(7), and one O(8) atom. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to one H(1), one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), and one O(8) atom. Co(1) is bonded to one H(1), one O(1), one O(2), one O(5), and one O(6) atom to form distorted CoHO4 trigonal bipyramids that share corners with two equivalent As(1)O4 tetrahedra and corners with two equivalent As(2)O4 tetrahedra. There are two inequivalent As sites. In the first As site, 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 two equivalent Co(1)HO4 trigonal bipyramids. In the second As site, As(2) is bonded to one O(1), one O(6), one O(7), and one O(8) atom to form AsO4 tetrahedra that share corners with two equivalent Co(1)HO4 trigonal bipyramids. There are two inequivalent H sites. In the first H site, H(1) is bonded in a bent 120 degrees geometry to one Ca(2) and one Co(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(4) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(2), one Co(1), and one As(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(2), one Co(1), and one As(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ca(1), one Ca(2), and one As(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ca(2), one As(1), and one H(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(2), one Co(1), and one As(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(2), one Co(1), and one As(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Ca(1) and one As(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Ca(1), one Ca(2), and one As(2) atom. is represented by the CIF card [CIF]
data_Ca2CoAs2(HO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.051
_cell_length_b   5.532
_cell_length_c   12.645
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   110.054
_symmetry_Int_Tables_number   1
_cell_volume   397.614
_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  0.587  0.035  0.820  1.0
  Ca  Ca1  1  0.413  0.965  0.320  1.0
  Ca  Ca2  1  0.548  0.487  0.566  1.0
  Ca  Ca3  1  0.452  0.513  0.066  1.0
  Co  Co4  1  0.066  0.786  0.984  1.0
  Co  Co5  1  0.934  0.214  0.484  1.0
  As  As6  1  0.208  0.810  0.578  1.0
  As  As7  1  0.792  0.190  0.078  1.0
  As  As8  1  0.762  0.650  0.328  1.0
  As  As9  1  0.238  0.350  0.828  1.0
  H  H10  1  0.781  0.239  0.585  1.0
  H  H11  1  0.219  0.761  0.085  1.0
  H  H12  1  0.947  0.576  0.701  1.0
  H  H13  1  0.053  0.424  0.201  1.0
  O  O14  1  0.733  0.862  0.426  1.0
  O  O15  1  0.267  0.138  0.926  1.0
  O  O16  1  0.801  0.425  0.987  1.0
  O  O17  1  0.199  0.575  0.487  1.0
  O  O18  1  0.429  0.816  0.661  1.0
  O  O19  1  0.571  0.184  0.161  1.0
  O  O20  1  0.941  0.723  0.655  1.0
  O  O21  1  0.059  0.277  0.155  1.0
  O  O22  1  0.770  0.913  0.011  1.0
  O  O23  1  0.230  0.087  0.511  1.0
  O  O24  1  0.325  0.643  0.895  1.0
  O  O25  1  0.675  0.357  0.395  1.0
  O  O26  1  0.966  0.283  0.774  1.0
  O  O27  1  0.034  0.717  0.274  1.0
  O  O28  1  0.551  0.665  0.240  1.0
  O  O29  1  0.449  0.335  0.740  1.0
[/CIF]
.
The compound described by Ca2CoAs2(HO4)2 crystallizes in the monoclinic P2_1 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(6), one O(7), and one O(8) atom. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to one H(1), one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), and one O(8) atom. Co(1) is bonded to one H(1), one O(1), one O(2), one O(5), and one O(6) atom to form distorted CoHO4 trigonal bipyramids that share corners with two equivalent As(1)O4 tetrahedra and corners with two equivalent As(2)O4 tetrahedra. There are two inequivalent As sites. In the first As site, 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 two equivalent Co(1)HO4 trigonal bipyramids. In the second As site, As(2) is bonded to one O(1), one O(6), one O(7), and one O(8) atom to form AsO4 tetrahedra that share corners with two equivalent Co(1)HO4 trigonal bipyramids. There are two inequivalent H sites. In the first H site, H(1) is bonded in a bent 120 degrees geometry to one Ca(2) and one Co(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(4) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(2), one Co(1), and one As(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(2), one Co(1), and one As(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ca(1), one Ca(2), and one As(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ca(2), one As(1), and one H(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(2), one Co(1), and one As(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(2), one Co(1), and one As(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Ca(1) and one As(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Ca(1), one Ca(2), and one As(2) atom. is represented by the CIF card [CIF]
data_Ca2CoAs2(HO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.051
_cell_length_b   5.532
_cell_length_c   12.645
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   110.054
_symmetry_Int_Tables_number   1
_cell_volume   397.614
_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  0.587  0.035  0.820  1.0
  Ca  Ca1  1  0.413  0.965  0.320  1.0
  Ca  Ca2  1  0.548  0.487  0.566  1.0
  Ca  Ca3  1  0.452  0.513  0.066  1.0
  Co  Co4  1  0.066  0.786  0.984  1.0
  Co  Co5  1  0.934  0.214  0.484  1.0
  As  As6  1  0.208  0.810  0.578  1.0
  As  As7  1  0.792  0.190  0.078  1.0
  As  As8  1  0.762  0.650  0.328  1.0
  As  As9  1  0.238  0.350  0.828  1.0
  H  H10  1  0.781  0.239  0.585  1.0
  H  H11  1  0.219  0.761  0.085  1.0
  H  H12  1  0.947  0.576  0.701  1.0
  H  H13  1  0.053  0.424  0.201  1.0
  O  O14  1  0.733  0.862  0.426  1.0
  O  O15  1  0.267  0.138  0.926  1.0
  O  O16  1  0.801  0.425  0.987  1.0
  O  O17  1  0.199  0.575  0.487  1.0
  O  O18  1  0.429  0.816  0.661  1.0
  O  O19  1  0.571  0.184  0.161  1.0
  O  O20  1  0.941  0.723  0.655  1.0
  O  O21  1  0.059  0.277  0.155  1.0
  O  O22  1  0.770  0.913  0.011  1.0
  O  O23  1  0.230  0.087  0.511  1.0
  O  O24  1  0.325  0.643  0.895  1.0
  O  O25  1  0.675  0.357  0.395  1.0
  O  O26  1  0.966  0.283  0.774  1.0
  O  O27  1  0.034  0.717  0.274  1.0
  O  O28  1  0.551  0.665  0.240  1.0
  O  O29  1  0.449  0.335  0.740  1.0
[/CIF]
.