The structure described by Ca3Be2P4(HO2)10 crystallizes in the triclinic P-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(10), one O(3), one O(6), one O(9), and two equivalent O(5) atoms. In the second Ca site, Ca(2) is bonded to two equivalent O(1), two equivalent O(10), and two equivalent O(7) atoms to form distorted CaO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. Be(1) is bonded to one O(3), one O(4), one O(6), and one O(8) atom to form BeO4 tetrahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Ca(2)O6 octahedra and corners with two equivalent Be(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 67°. In the second P site, P(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Ca(2)O6 octahedra and corners with two equivalent Be(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 59°. There are five inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to one O(2) and one O(7) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(9) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(9) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(10) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(10) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one Ca(1), one Ca(2), and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one P(1) and one H(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ca(1), one Be(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Be(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ca(1), one Be(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Ca(2), one P(2), and one H(1) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Be(1) and one P(2) atom. In the ninth O site, O(9) is bonded in a water-like geometry to one Ca(1), one H(2), and one H(3) atom. In the tenth O site, O(10) is bonded in a water-like geometry to one Ca(1), one Ca(2), one H(4), and one H(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca3Be2P4(HO2)10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.106
_cell_length_b   7.380
_cell_length_c   7.796
_cell_angle_alpha   102.384
_cell_angle_beta   94.410
_cell_angle_gamma   96.337
_symmetry_Int_Tables_number   1
_cell_volume   394.748
_cell_formula_units_Z   1
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  0.023  0.290  0.606  1.0
  Ca  Ca1  1  0.977  0.710  0.394  1.0
  Ca  Ca2  1  0.000  0.000  0.000  1.0
  Be  Be3  1  0.516  0.268  0.582  1.0
  Be  Be4  1  0.484  0.732  0.418  1.0
  P  P5  1  0.318  0.958  0.698  1.0
  P  P6  1  0.682  0.042  0.302  1.0
  P  P7  1  0.728  0.645  0.698  1.0
  P  P8  1  0.272  0.355  0.302  1.0
  H  H9  1  0.507  0.848  0.876  1.0
  H  H10  1  0.493  0.152  0.124  1.0
  H  H11  1  0.366  0.487  0.825  1.0
  H  H12  1  0.634  0.513  0.175  1.0
  H  H13  1  0.279  0.363  0.950  1.0
  H  H14  1  0.721  0.637  0.050  1.0
  H  H15  1  0.717  0.186  0.822  1.0
  H  H16  1  0.283  0.814  0.178  1.0
  H  H17  1  0.829  0.353  0.962  1.0
  H  H18  1  0.171  0.647  0.038  1.0
  O  O19  1  0.118  0.015  0.714  1.0
  O  O20  1  0.882  0.985  0.286  1.0
  O  O21  1  0.368  0.868  0.860  1.0
  O  O22  1  0.632  0.132  0.140  1.0
  O  O23  1  0.307  0.805  0.525  1.0
  O  O24  1  0.693  0.195  0.475  1.0
  O  O25  1  0.474  0.124  0.712  1.0
  O  O26  1  0.526  0.876  0.288  1.0
  O  O27  1  0.927  0.587  0.669  1.0
  O  O28  1  0.073  0.413  0.331  1.0
  O  O29  1  0.679  0.738  0.541  1.0
  O  O30  1  0.321  0.262  0.459  1.0
  O  O31  1  0.729  0.790  0.876  1.0
  O  O32  1  0.271  0.210  0.124  1.0
  O  O33  1  0.577  0.479  0.702  1.0
  O  O34  1  0.423  0.521  0.298  1.0
  O  O35  1  0.246  0.450  0.874  1.0
  O  O36  1  0.754  0.550  0.126  1.0
  O  O37  1  0.849  0.242  0.871  1.0
  O  O38  1  0.151  0.758  0.129  1.0
[/CIF]
.
The structure described by Ca3Be2P4(HO2)10 crystallizes in the triclinic P-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(10), one O(3), one O(6), one O(9), and two equivalent O(5) atoms. In the second Ca site, Ca(2) is bonded to two equivalent O(1), two equivalent O(10), and two equivalent O(7) atoms to form distorted CaO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. Be(1) is bonded to one O(3), one O(4), one O(6), and one O(8) atom to form BeO4 tetrahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Ca(2)O6 octahedra and corners with two equivalent Be(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 67°. In the second P site, P(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Ca(2)O6 octahedra and corners with two equivalent Be(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 59°. There are five inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to one O(2) and one O(7) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(9) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(9) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(10) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(10) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one Ca(1), one Ca(2), and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one P(1) and one H(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ca(1), one Be(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Be(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ca(1), one Be(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Ca(2), one P(2), and one H(1) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Be(1) and one P(2) atom. In the ninth O site, O(9) is bonded in a water-like geometry to one Ca(1), one H(2), and one H(3) atom. In the tenth O site, O(10) is bonded in a water-like geometry to one Ca(1), one Ca(2), one H(4), and one H(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca3Be2P4(HO2)10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.106
_cell_length_b   7.380
_cell_length_c   7.796
_cell_angle_alpha   102.384
_cell_angle_beta   94.410
_cell_angle_gamma   96.337
_symmetry_Int_Tables_number   1
_cell_volume   394.748
_cell_formula_units_Z   1
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  0.023  0.290  0.606  1.0
  Ca  Ca1  1  0.977  0.710  0.394  1.0
  Ca  Ca2  1  0.000  0.000  0.000  1.0
  Be  Be3  1  0.516  0.268  0.582  1.0
  Be  Be4  1  0.484  0.732  0.418  1.0
  P  P5  1  0.318  0.958  0.698  1.0
  P  P6  1  0.682  0.042  0.302  1.0
  P  P7  1  0.728  0.645  0.698  1.0
  P  P8  1  0.272  0.355  0.302  1.0
  H  H9  1  0.507  0.848  0.876  1.0
  H  H10  1  0.493  0.152  0.124  1.0
  H  H11  1  0.366  0.487  0.825  1.0
  H  H12  1  0.634  0.513  0.175  1.0
  H  H13  1  0.279  0.363  0.950  1.0
  H  H14  1  0.721  0.637  0.050  1.0
  H  H15  1  0.717  0.186  0.822  1.0
  H  H16  1  0.283  0.814  0.178  1.0
  H  H17  1  0.829  0.353  0.962  1.0
  H  H18  1  0.171  0.647  0.038  1.0
  O  O19  1  0.118  0.015  0.714  1.0
  O  O20  1  0.882  0.985  0.286  1.0
  O  O21  1  0.368  0.868  0.860  1.0
  O  O22  1  0.632  0.132  0.140  1.0
  O  O23  1  0.307  0.805  0.525  1.0
  O  O24  1  0.693  0.195  0.475  1.0
  O  O25  1  0.474  0.124  0.712  1.0
  O  O26  1  0.526  0.876  0.288  1.0
  O  O27  1  0.927  0.587  0.669  1.0
  O  O28  1  0.073  0.413  0.331  1.0
  O  O29  1  0.679  0.738  0.541  1.0
  O  O30  1  0.321  0.262  0.459  1.0
  O  O31  1  0.729  0.790  0.876  1.0
  O  O32  1  0.271  0.210  0.124  1.0
  O  O33  1  0.577  0.479  0.702  1.0
  O  O34  1  0.423  0.521  0.298  1.0
  O  O35  1  0.246  0.450  0.874  1.0
  O  O36  1  0.754  0.550  0.126  1.0
  O  O37  1  0.849  0.242  0.871  1.0
  O  O38  1  0.151  0.758  0.129  1.0
[/CIF]
.