The compound described by Ca5(AsO4)3OH crystallizes in the hexagonal P6_3 space group. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. In the second Ca site, Ca(2) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. In the third Ca site, Ca(3) is bonded in a 6-coordinate geometry to one O(1), one O(5), two equivalent O(3), and two equivalent O(4) atoms. As(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. H(1) is bonded in a single-bond geometry to one O(5) atom. There are five inequivalent O sites. In the first O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Ca(3) and one As(1) atom. In the second O site, O(5) is bonded in a single-bond geometry to three equivalent Ca(3) and one H(1) atom. In the third O site, O(1) is bonded to one Ca(1), one Ca(2), one Ca(3), and one As(1) atom to form distorted edge-sharing OCa3As tetrahedra. In the fourth O site, O(2) is bonded in a 3-coordinate geometry to one Ca(1), one Ca(2), and one As(1) atom. In the fifth O site, O(3) is bonded in a 4-coordinate geometry to one Ca(2), two equivalent Ca(3), and one As(1) atom. is represented by the CIF file [CIF]
data_Ca5As3HO13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.922
_cell_length_b   9.922
_cell_length_c   7.009
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   597.568
_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  0.333  0.667  0.499  1.0
  Ca  Ca1  1  0.667  0.333  0.999  1.0
  Ca  Ca2  1  0.667  0.333  0.502  1.0
  Ca  Ca3  1  0.333  0.667  0.002  1.0
  Ca  Ca4  1  0.758  0.750  0.251  1.0
  Ca  Ca5  1  0.992  0.242  0.251  1.0
  Ca  Ca6  1  0.250  0.008  0.251  1.0
  Ca  Ca7  1  0.242  0.250  0.751  1.0
  Ca  Ca8  1  0.008  0.758  0.751  1.0
  Ca  Ca9  1  0.750  0.992  0.751  1.0
  As  As10  1  0.973  0.602  0.251  1.0
  As  As11  1  0.629  0.027  0.251  1.0
  As  As12  1  0.398  0.371  0.251  1.0
  As  As13  1  0.027  0.398  0.751  1.0
  As  As14  1  0.371  0.973  0.751  1.0
  As  As15  1  0.602  0.629  0.751  1.0
  H  H16  1  0.000  0.000  0.425  1.0
  H  H17  1  0.000  0.000  0.925  1.0
  O  O18  1  0.869  0.400  0.249  1.0
  O  O19  1  0.532  0.131  0.249  1.0
  O  O20  1  0.600  0.468  0.249  1.0
  O  O21  1  0.131  0.600  0.749  1.0
  O  O22  1  0.468  0.869  0.749  1.0
  O  O23  1  0.400  0.532  0.749  1.0
  O  O24  1  0.170  0.674  0.251  1.0
  O  O25  1  0.504  0.830  0.251  1.0
  O  O26  1  0.326  0.496  0.251  1.0
  O  O27  1  0.830  0.326  0.751  1.0
  O  O28  1  0.496  0.170  0.751  1.0
  O  O29  1  0.674  0.504  0.751  1.0
  O  O30  1  0.908  0.659  0.446  1.0
  O  O31  1  0.750  0.092  0.446  1.0
  O  O32  1  0.341  0.250  0.446  1.0
  O  O33  1  0.092  0.341  0.946  1.0
  O  O34  1  0.250  0.908  0.946  1.0
  O  O35  1  0.659  0.750  0.946  1.0
  O  O36  1  0.089  0.336  0.559  1.0
  O  O37  1  0.247  0.911  0.559  1.0
  O  O38  1  0.664  0.753  0.559  1.0
  O  O39  1  0.911  0.664  0.059  1.0
  O  O40  1  0.753  0.089  0.059  1.0
  O  O41  1  0.336  0.247  0.059  1.0
  O  O42  1  0.000  0.000  0.286  1.0
  O  O43  1  0.000  0.000  0.786  1.0
[/CIF]
.
The compound described by Ca5(AsO4)3OH crystallizes in the hexagonal P6_3 space group. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. In the second Ca site, Ca(2) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. In the third Ca site, Ca(3) is bonded in a 6-coordinate geometry to one O(1), one O(5), two equivalent O(3), and two equivalent O(4) atoms. As(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. H(1) is bonded in a single-bond geometry to one O(5) atom. There are five inequivalent O sites. In the first O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Ca(3) and one As(1) atom. In the second O site, O(5) is bonded in a single-bond geometry to three equivalent Ca(3) and one H(1) atom. In the third O site, O(1) is bonded to one Ca(1), one Ca(2), one Ca(3), and one As(1) atom to form distorted edge-sharing OCa3As tetrahedra. In the fourth O site, O(2) is bonded in a 3-coordinate geometry to one Ca(1), one Ca(2), and one As(1) atom. In the fifth O site, O(3) is bonded in a 4-coordinate geometry to one Ca(2), two equivalent Ca(3), and one As(1) atom. is represented by the CIF file [CIF]
data_Ca5As3HO13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.922
_cell_length_b   9.922
_cell_length_c   7.009
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   597.568
_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  0.333  0.667  0.499  1.0
  Ca  Ca1  1  0.667  0.333  0.999  1.0
  Ca  Ca2  1  0.667  0.333  0.502  1.0
  Ca  Ca3  1  0.333  0.667  0.002  1.0
  Ca  Ca4  1  0.758  0.750  0.251  1.0
  Ca  Ca5  1  0.992  0.242  0.251  1.0
  Ca  Ca6  1  0.250  0.008  0.251  1.0
  Ca  Ca7  1  0.242  0.250  0.751  1.0
  Ca  Ca8  1  0.008  0.758  0.751  1.0
  Ca  Ca9  1  0.750  0.992  0.751  1.0
  As  As10  1  0.973  0.602  0.251  1.0
  As  As11  1  0.629  0.027  0.251  1.0
  As  As12  1  0.398  0.371  0.251  1.0
  As  As13  1  0.027  0.398  0.751  1.0
  As  As14  1  0.371  0.973  0.751  1.0
  As  As15  1  0.602  0.629  0.751  1.0
  H  H16  1  0.000  0.000  0.425  1.0
  H  H17  1  0.000  0.000  0.925  1.0
  O  O18  1  0.869  0.400  0.249  1.0
  O  O19  1  0.532  0.131  0.249  1.0
  O  O20  1  0.600  0.468  0.249  1.0
  O  O21  1  0.131  0.600  0.749  1.0
  O  O22  1  0.468  0.869  0.749  1.0
  O  O23  1  0.400  0.532  0.749  1.0
  O  O24  1  0.170  0.674  0.251  1.0
  O  O25  1  0.504  0.830  0.251  1.0
  O  O26  1  0.326  0.496  0.251  1.0
  O  O27  1  0.830  0.326  0.751  1.0
  O  O28  1  0.496  0.170  0.751  1.0
  O  O29  1  0.674  0.504  0.751  1.0
  O  O30  1  0.908  0.659  0.446  1.0
  O  O31  1  0.750  0.092  0.446  1.0
  O  O32  1  0.341  0.250  0.446  1.0
  O  O33  1  0.092  0.341  0.946  1.0
  O  O34  1  0.250  0.908  0.946  1.0
  O  O35  1  0.659  0.750  0.946  1.0
  O  O36  1  0.089  0.336  0.559  1.0
  O  O37  1  0.247  0.911  0.559  1.0
  O  O38  1  0.664  0.753  0.559  1.0
  O  O39  1  0.911  0.664  0.059  1.0
  O  O40  1  0.753  0.089  0.059  1.0
  O  O41  1  0.336  0.247  0.059  1.0
  O  O42  1  0.000  0.000  0.286  1.0
  O  O43  1  0.000  0.000  0.786  1.0
[/CIF]
.