The material structure described by Ca10(PO4)6(CO3) crystallizes in the triclinic P1 space group. There are ten inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(12), one O(19), one O(3), one O(4), and one O(8) atom. In the second Ca site, Ca(2) is bonded in a 9-coordinate geometry to one O(10), one O(2), one O(20), one O(23), one O(24), one O(5), one O(6), one O(7), and one O(9) atom. In the third Ca site, Ca(3) is bonded in a 7-coordinate geometry to one O(10), one O(13), one O(2), one O(5), one O(6), one O(7), and one O(9) atom. In the fourth Ca site, Ca(4) is bonded in a 9-coordinate geometry to one O(1), one O(11), one O(12), one O(14), one O(17), one O(18), one O(3), one O(4), and one O(8) atom. In the fifth Ca site, Ca(5) is bonded in a 9-coordinate geometry to one O(13), one O(16), one O(18), one O(20), one O(21), one O(25), one O(27), one O(4), and one O(9) atom. In the sixth Ca site, Ca(6) is bonded to one O(12), one O(14), one O(15), one O(19), one O(24), one O(26), and one O(5) atom to form distorted CaO7 pentagonal bipyramids that share  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. In the seventh Ca site, Ca(7) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(15), one O(17), one O(22), one O(24), and one O(27) atom. In the eighth Ca site, Ca(8) is bonded in a 7-coordinate geometry to one O(14), one O(16), one O(19), one O(25), one O(27), one O(3), and one O(7) atom. In the ninth Ca site, Ca(9) is bonded in a 5-coordinate geometry to one O(13), one O(20), one O(22), one O(26), one O(6), and one O(8) atom. In the tenth Ca site, Ca(10) is bonded in a 6-coordinate geometry to one O(11), one O(16), one O(2), one O(21), one O(23), and one O(25) atom. C(1) is bonded in a trigonal planar geometry to one O(25), one O(26), and one O(27) atom. There are six inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(1), one O(13), one O(20), and one O(7) atom. In the second P site, P(2) is bonded to one O(14), one O(19), one O(2), and one O(8) atom to form PO4 tetrahedra that share  an edgeedge with one Ca(6)O7 pentagonal bipyramid. In the third P site, P(3) is bonded to one O(15), one O(24), one O(3), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Ca(6)O7 pentagonal bipyramids. In the fourth P site, P(4) is bonded in a tetrahedral geometry to one O(10), one O(16), one O(23), and one O(4) atom. In the fifth P site, P(5) is bonded to one O(11), one O(17), one O(22), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Ca(6)O7 pentagonal bipyramid. In the sixth P site, P(6) is bonded to one O(12), one O(18), one O(21), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Ca(6)O7 pentagonal bipyramid. There are twenty-seven inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(4), one Ca(7), and one P(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ca(10), one Ca(2), one Ca(3), and one P(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(4), one Ca(8), and one P(3) atom. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to one Ca(1), one Ca(4), one Ca(5), and one P(4) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Ca(2), one Ca(3), one Ca(6), and one P(5) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ca(2), one Ca(3), one Ca(9), and one P(6) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Ca(2), one Ca(3), one Ca(8), and one P(1) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(4), one Ca(9), and one P(2) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Ca(2), one Ca(3), one Ca(5), and one P(3) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Ca(2), one Ca(3), one Ca(7), and one P(4) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(10), one Ca(4), and one P(5) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(4), one Ca(6), and one P(6) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Ca(3), one Ca(5), one Ca(9), and one P(1) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Ca(4), one Ca(6), one Ca(8), and one P(2) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Ca(6), one Ca(7), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one Ca(10), one Ca(5), one Ca(8), and one P(4) atom. In the seventeenth O site, O(17) is bonded in a 1-coordinate geometry to one Ca(4), one Ca(7), and one P(5) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one Ca(4), one Ca(5), and one P(6) atom. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(6), one Ca(8), and one P(2) atom. In the twentieth O site, O(20) is bonded in a 4-coordinate geometry to one Ca(2), one Ca(5), one Ca(9), and one P(1) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Ca(10), one Ca(5), and one P(6) atom. In the twenty-second O site, O(22) is bonded in a 3-coordinate geometry to one Ca(7), one Ca(9), and one P(5) atom. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one Ca(10), one Ca(2), and one P(4) atom. In the twenty-fourth O site, O(24) is bonded in a 4-coordinate geometry to one Ca(2), one Ca(6), one Ca(7), and one P(3) atom. In the twenty-fifth O site, O(25) is bonded in a 1-coordinate geometry to one Ca(10), one Ca(5), one Ca(8), and one C(1) atom. In the twenty-sixth O site, O(26) is bonded in a distorted trigonal planar geometry to one Ca(6), one Ca(9), and one C(1) atom. In the twenty-seventh O site, O(27) is bonded in a 1-coordinate geometry to one Ca(5), one Ca(7), one Ca(8), and one C(1) atom. is represented by the CIF card [CIF]
data_Ca10P6CO27
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.935
_cell_length_b   9.474
_cell_length_c   9.670
_cell_angle_alpha   118.073
_cell_angle_beta   89.769
_cell_angle_gamma   90.907
_symmetry_Int_Tables_number   1
_cell_volume   560.566
_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  0.022  0.337  0.683  1.0
  Ca  Ca1  1  0.491  0.677  0.344  1.0
  Ca  Ca2  1  0.990  0.678  0.320  1.0
  Ca  Ca3  1  0.516  0.330  0.660  1.0
  Ca  Ca4  1  0.242  0.020  0.252  1.0
  Ca  Ca5  1  0.764  0.981  0.724  1.0
  Ca  Ca6  1  0.252  0.720  0.723  1.0
  Ca  Ca7  1  0.259  0.247  0.994  1.0
  Ca  Ca8  1  0.758  0.743  0.999  1.0
  Ca  Ca9  1  0.764  0.284  0.268  1.0
  P  P10  1  0.256  0.637  0.035  1.0
  P  P11  1  0.761  0.357  0.967  1.0
  P  P12  1  0.253  0.971  0.598  1.0
  P  P13  1  0.257  0.406  0.380  1.0
  P  P14  1  0.760  0.596  0.627  1.0
  P  P15  1  0.746  0.028  0.394  1.0
  C  C16  1  0.489  0.004  0.001  1.0
  O  O17  1  0.256  0.526  0.855  1.0
  O  O18  1  0.764  0.469  0.147  1.0
  O  O19  1  0.267  0.158  0.681  1.0
  O  O20  1  0.252  0.343  0.502  1.0
  O  O21  1  0.759  0.672  0.515  1.0
  O  O22  1  0.737  0.842  0.327  1.0
  O  O23  1  0.250  0.535  0.125  1.0
  O  O24  1  0.774  0.459  0.878  1.0
  O  O25  1  0.216  0.897  0.417  1.0
  O  O26  1  0.178  0.580  0.454  1.0
  O  O27  1  0.803  0.412  0.537  1.0
  O  O28  1  0.816  0.110  0.569  1.0
  O  O29  1  0.076  0.747  0.089  1.0
  O  O30  1  0.576  0.252  0.906  1.0
  O  O31  1  0.088  0.917  0.672  1.0
  O  O32  1  0.127  0.292  0.239  1.0
  O  O33  1  0.563  0.608  0.707  1.0
  O  O34  1  0.546  0.098  0.398  1.0
  O  O35  1  0.935  0.242  0.917  1.0
  O  O36  1  0.438  0.748  0.092  1.0
  O  O37  1  0.888  0.063  0.288  1.0
  O  O38  1  0.918  0.677  0.756  1.0
  O  O39  1  0.464  0.422  0.331  1.0
  O  O40  1  0.443  0.895  0.616  1.0
  O  O41  1  0.499  0.127  0.137  1.0
  O  O42  1  0.644  0.935  0.927  1.0
  O  O43  1  0.315  0.958  0.945  1.0
[/CIF]
.
The material structure described by Ca10(PO4)6(CO3) crystallizes in the triclinic P1 space group. There are ten inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(12), one O(19), one O(3), one O(4), and one O(8) atom. In the second Ca site, Ca(2) is bonded in a 9-coordinate geometry to one O(10), one O(2), one O(20), one O(23), one O(24), one O(5), one O(6), one O(7), and one O(9) atom. In the third Ca site, Ca(3) is bonded in a 7-coordinate geometry to one O(10), one O(13), one O(2), one O(5), one O(6), one O(7), and one O(9) atom. In the fourth Ca site, Ca(4) is bonded in a 9-coordinate geometry to one O(1), one O(11), one O(12), one O(14), one O(17), one O(18), one O(3), one O(4), and one O(8) atom. In the fifth Ca site, Ca(5) is bonded in a 9-coordinate geometry to one O(13), one O(16), one O(18), one O(20), one O(21), one O(25), one O(27), one O(4), and one O(9) atom. In the sixth Ca site, Ca(6) is bonded to one O(12), one O(14), one O(15), one O(19), one O(24), one O(26), and one O(5) atom to form distorted CaO7 pentagonal bipyramids that share  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. In the seventh Ca site, Ca(7) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(15), one O(17), one O(22), one O(24), and one O(27) atom. In the eighth Ca site, Ca(8) is bonded in a 7-coordinate geometry to one O(14), one O(16), one O(19), one O(25), one O(27), one O(3), and one O(7) atom. In the ninth Ca site, Ca(9) is bonded in a 5-coordinate geometry to one O(13), one O(20), one O(22), one O(26), one O(6), and one O(8) atom. In the tenth Ca site, Ca(10) is bonded in a 6-coordinate geometry to one O(11), one O(16), one O(2), one O(21), one O(23), and one O(25) atom. C(1) is bonded in a trigonal planar geometry to one O(25), one O(26), and one O(27) atom. There are six inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(1), one O(13), one O(20), and one O(7) atom. In the second P site, P(2) is bonded to one O(14), one O(19), one O(2), and one O(8) atom to form PO4 tetrahedra that share  an edgeedge with one Ca(6)O7 pentagonal bipyramid. In the third P site, P(3) is bonded to one O(15), one O(24), one O(3), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Ca(6)O7 pentagonal bipyramids. In the fourth P site, P(4) is bonded in a tetrahedral geometry to one O(10), one O(16), one O(23), and one O(4) atom. In the fifth P site, P(5) is bonded to one O(11), one O(17), one O(22), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Ca(6)O7 pentagonal bipyramid. In the sixth P site, P(6) is bonded to one O(12), one O(18), one O(21), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Ca(6)O7 pentagonal bipyramid. There are twenty-seven inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(4), one Ca(7), and one P(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ca(10), one Ca(2), one Ca(3), and one P(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(4), one Ca(8), and one P(3) atom. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to one Ca(1), one Ca(4), one Ca(5), and one P(4) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Ca(2), one Ca(3), one Ca(6), and one P(5) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ca(2), one Ca(3), one Ca(9), and one P(6) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Ca(2), one Ca(3), one Ca(8), and one P(1) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(4), one Ca(9), and one P(2) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Ca(2), one Ca(3), one Ca(5), and one P(3) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Ca(2), one Ca(3), one Ca(7), and one P(4) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(10), one Ca(4), and one P(5) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(4), one Ca(6), and one P(6) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Ca(3), one Ca(5), one Ca(9), and one P(1) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Ca(4), one Ca(6), one Ca(8), and one P(2) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Ca(6), one Ca(7), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one Ca(10), one Ca(5), one Ca(8), and one P(4) atom. In the seventeenth O site, O(17) is bonded in a 1-coordinate geometry to one Ca(4), one Ca(7), and one P(5) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one Ca(4), one Ca(5), and one P(6) atom. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(6), one Ca(8), and one P(2) atom. In the twentieth O site, O(20) is bonded in a 4-coordinate geometry to one Ca(2), one Ca(5), one Ca(9), and one P(1) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Ca(10), one Ca(5), and one P(6) atom. In the twenty-second O site, O(22) is bonded in a 3-coordinate geometry to one Ca(7), one Ca(9), and one P(5) atom. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one Ca(10), one Ca(2), and one P(4) atom. In the twenty-fourth O site, O(24) is bonded in a 4-coordinate geometry to one Ca(2), one Ca(6), one Ca(7), and one P(3) atom. In the twenty-fifth O site, O(25) is bonded in a 1-coordinate geometry to one Ca(10), one Ca(5), one Ca(8), and one C(1) atom. In the twenty-sixth O site, O(26) is bonded in a distorted trigonal planar geometry to one Ca(6), one Ca(9), and one C(1) atom. In the twenty-seventh O site, O(27) is bonded in a 1-coordinate geometry to one Ca(5), one Ca(7), one Ca(8), and one C(1) atom. is represented by the CIF card [CIF]
data_Ca10P6CO27
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.935
_cell_length_b   9.474
_cell_length_c   9.670
_cell_angle_alpha   118.073
_cell_angle_beta   89.769
_cell_angle_gamma   90.907
_symmetry_Int_Tables_number   1
_cell_volume   560.566
_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  0.022  0.337  0.683  1.0
  Ca  Ca1  1  0.491  0.677  0.344  1.0
  Ca  Ca2  1  0.990  0.678  0.320  1.0
  Ca  Ca3  1  0.516  0.330  0.660  1.0
  Ca  Ca4  1  0.242  0.020  0.252  1.0
  Ca  Ca5  1  0.764  0.981  0.724  1.0
  Ca  Ca6  1  0.252  0.720  0.723  1.0
  Ca  Ca7  1  0.259  0.247  0.994  1.0
  Ca  Ca8  1  0.758  0.743  0.999  1.0
  Ca  Ca9  1  0.764  0.284  0.268  1.0
  P  P10  1  0.256  0.637  0.035  1.0
  P  P11  1  0.761  0.357  0.967  1.0
  P  P12  1  0.253  0.971  0.598  1.0
  P  P13  1  0.257  0.406  0.380  1.0
  P  P14  1  0.760  0.596  0.627  1.0
  P  P15  1  0.746  0.028  0.394  1.0
  C  C16  1  0.489  0.004  0.001  1.0
  O  O17  1  0.256  0.526  0.855  1.0
  O  O18  1  0.764  0.469  0.147  1.0
  O  O19  1  0.267  0.158  0.681  1.0
  O  O20  1  0.252  0.343  0.502  1.0
  O  O21  1  0.759  0.672  0.515  1.0
  O  O22  1  0.737  0.842  0.327  1.0
  O  O23  1  0.250  0.535  0.125  1.0
  O  O24  1  0.774  0.459  0.878  1.0
  O  O25  1  0.216  0.897  0.417  1.0
  O  O26  1  0.178  0.580  0.454  1.0
  O  O27  1  0.803  0.412  0.537  1.0
  O  O28  1  0.816  0.110  0.569  1.0
  O  O29  1  0.076  0.747  0.089  1.0
  O  O30  1  0.576  0.252  0.906  1.0
  O  O31  1  0.088  0.917  0.672  1.0
  O  O32  1  0.127  0.292  0.239  1.0
  O  O33  1  0.563  0.608  0.707  1.0
  O  O34  1  0.546  0.098  0.398  1.0
  O  O35  1  0.935  0.242  0.917  1.0
  O  O36  1  0.438  0.748  0.092  1.0
  O  O37  1  0.888  0.063  0.288  1.0
  O  O38  1  0.918  0.677  0.756  1.0
  O  O39  1  0.464  0.422  0.331  1.0
  O  O40  1  0.443  0.895  0.616  1.0
  O  O41  1  0.499  0.127  0.137  1.0
  O  O42  1  0.644  0.935  0.927  1.0
  O  O43  1  0.315  0.958  0.945  1.0
[/CIF]
.