The compound described by KCa3Mg3Al(SiO3)8 is Esseneite-derived structured and crystallizes in the monoclinic P2 space group. K(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(11), two equivalent O(3), and two equivalent O(6) atoms. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(12), two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), two equivalent O(8), and two equivalent O(9) atoms. In the third Ca site, Ca(3) is bonded in a 8-coordinate geometry to two equivalent O(10), two equivalent O(2), two equivalent O(4), and two equivalent O(7) atoms. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent O(6), two equivalent O(8), and two equivalent O(9) atoms to form MgO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, corners with two equivalent Si(4)O4 tetrahedra, and edges with two equivalent Al(1)O6 octahedra. In the second Mg site, Mg(2) is bonded to two equivalent O(10), two equivalent O(5), and two equivalent O(7) atoms to form MgO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra, and edges with two equivalent Mg(3)O6 octahedra. In the third Mg site, Mg(3) is bonded to two equivalent O(12), two equivalent O(5), and two equivalent O(7) atoms to form MgO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra, corners with two equivalent Si(4)O4 tetrahedra, and edges with two equivalent Mg(2)O6 octahedra. Al(1) is bonded to two equivalent O(11), two equivalent O(6), and two equivalent O(8) atoms to form AlO6 octahedra that share corners with two equivalent Si(2)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra, corners with two equivalent Si(4)O4 tetrahedra, and edges with two equivalent Mg(1)O6 octahedra. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(3), one O(5), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Mg(2)O6 octahedra,  a cornercorner with one Mg(3)O6 octahedra, and corners with two equivalent Si(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-60°. In the second Si site, Si(2) is bonded to one O(10), one O(2), one O(4), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Mg(2)O6 octahedra,  a cornercorner with one Al(1)O6 octahedra, and corners with two equivalent Si(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-58°. In the third Si site, Si(3) is bonded to one O(1), one O(11), one O(3), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one Mg(2)O6 octahedra,  a cornercorner with one Mg(3)O6 octahedra,  a cornercorner with one Al(1)O6 octahedra, and corners with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 28-60°. In the fourth Si site, Si(4) is bonded to one O(12), one O(2), one O(4), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Mg(3)O6 octahedra,  a cornercorner with one Al(1)O6 octahedra, and corners with two equivalent Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-63°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one K(1), one Ca(2), one Si(1), and one Si(3) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(3), one Si(2), and one Si(4) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one K(1), one Ca(2), one Si(1), and one Si(3) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Ca(1), one Ca(3), one Si(2), and one Si(4) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Ca(1), one Mg(2), one Mg(3), and one Si(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one K(1), one Mg(1), one Al(1), and one Si(2) atom. In the seventh O site, O(7) is bonded to one Ca(3), one Mg(2), one Mg(3), and one Si(3) atom to form a mixture of distorted corner and edge-sharing OCaMg2Si tetrahedra. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Ca(2), one Mg(1), one Al(1), and one Si(4) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Ca(2), one Mg(1), and one Si(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Ca(3), one Mg(2), and one Si(2) atom. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one K(1), one Al(1), and one Si(3) atom. In the twelfth O site, O(12) is bonded in a distorted T-shaped geometry to one Ca(1), one Mg(3), and one Si(4) atom. is represented by the CIF card [CIF]
data_KCa3Mg3Al(SiO3)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.002
_cell_length_b   5.323
_cell_length_c   9.784
_cell_angle_alpha   74.718
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   452.251
_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
  K  K0  1  0.811  0.500  0.500  1.0
  Ca  Ca1  1  0.302  0.000  0.000  1.0
  Ca  Ca2  1  0.194  0.000  0.500  1.0
  Ca  Ca3  1  0.696  0.500  0.000  1.0
  Mg  Mg4  1  0.407  0.500  0.500  1.0
  Mg  Mg5  1  0.905  0.000  0.000  1.0
  Mg  Mg6  1  0.091  0.500  0.000  1.0
  Al  Al7  1  0.598  0.000  0.500  1.0
  Si  Si8  1  0.093  0.687  0.285  1.0
  Si  Si9  1  0.593  0.184  0.782  1.0
  Si  Si10  1  0.093  0.313  0.715  1.0
  Si  Si11  1  0.593  0.816  0.218  1.0
  Si  Si12  1  0.903  0.816  0.714  1.0
  Si  Si13  1  0.410  0.307  0.216  1.0
  Si  Si14  1  0.903  0.184  0.286  1.0
  Si  Si15  1  0.410  0.693  0.784  1.0
  O  O16  1  0.019  0.387  0.343  1.0
  O  O17  1  0.520  0.887  0.855  1.0
  O  O18  1  0.019  0.613  0.657  1.0
  O  O19  1  0.520  0.113  0.145  1.0
  O  O20  1  0.989  0.102  0.653  1.0
  O  O21  1  0.481  0.608  0.158  1.0
  O  O22  1  0.989  0.898  0.347  1.0
  O  O23  1  0.481  0.392  0.842  1.0
  O  O24  1  0.090  0.775  0.113  1.0
  O  O25  1  0.575  0.248  0.611  1.0
  O  O26  1  0.090  0.225  0.887  1.0
  O  O27  1  0.575  0.752  0.389  1.0
  O  O28  1  0.905  0.725  0.886  1.0
  O  O29  1  0.425  0.213  0.388  1.0
  O  O30  1  0.905  0.275  0.114  1.0
  O  O31  1  0.425  0.787  0.612  1.0
  O  O32  1  0.248  0.698  0.364  1.0
  O  O33  1  0.749  0.213  0.856  1.0
  O  O34  1  0.248  0.302  0.636  1.0
  O  O35  1  0.749  0.787  0.144  1.0
  O  O36  1  0.743  0.827  0.637  1.0
  O  O37  1  0.253  0.291  0.141  1.0
  O  O38  1  0.743  0.173  0.363  1.0
  O  O39  1  0.253  0.709  0.859  1.0
[/CIF]
.
The compound described by KCa3Mg3Al(SiO3)8 is Esseneite-derived structured and crystallizes in the monoclinic P2 space group. K(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(11), two equivalent O(3), and two equivalent O(6) atoms. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(12), two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), two equivalent O(8), and two equivalent O(9) atoms. In the third Ca site, Ca(3) is bonded in a 8-coordinate geometry to two equivalent O(10), two equivalent O(2), two equivalent O(4), and two equivalent O(7) atoms. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent O(6), two equivalent O(8), and two equivalent O(9) atoms to form MgO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, corners with two equivalent Si(4)O4 tetrahedra, and edges with two equivalent Al(1)O6 octahedra. In the second Mg site, Mg(2) is bonded to two equivalent O(10), two equivalent O(5), and two equivalent O(7) atoms to form MgO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra, and edges with two equivalent Mg(3)O6 octahedra. In the third Mg site, Mg(3) is bonded to two equivalent O(12), two equivalent O(5), and two equivalent O(7) atoms to form MgO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra, corners with two equivalent Si(4)O4 tetrahedra, and edges with two equivalent Mg(2)O6 octahedra. Al(1) is bonded to two equivalent O(11), two equivalent O(6), and two equivalent O(8) atoms to form AlO6 octahedra that share corners with two equivalent Si(2)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra, corners with two equivalent Si(4)O4 tetrahedra, and edges with two equivalent Mg(1)O6 octahedra. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(3), one O(5), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Mg(2)O6 octahedra,  a cornercorner with one Mg(3)O6 octahedra, and corners with two equivalent Si(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-60°. In the second Si site, Si(2) is bonded to one O(10), one O(2), one O(4), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Mg(2)O6 octahedra,  a cornercorner with one Al(1)O6 octahedra, and corners with two equivalent Si(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-58°. In the third Si site, Si(3) is bonded to one O(1), one O(11), one O(3), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one Mg(2)O6 octahedra,  a cornercorner with one Mg(3)O6 octahedra,  a cornercorner with one Al(1)O6 octahedra, and corners with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 28-60°. In the fourth Si site, Si(4) is bonded to one O(12), one O(2), one O(4), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Mg(3)O6 octahedra,  a cornercorner with one Al(1)O6 octahedra, and corners with two equivalent Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-63°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one K(1), one Ca(2), one Si(1), and one Si(3) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(3), one Si(2), and one Si(4) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one K(1), one Ca(2), one Si(1), and one Si(3) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Ca(1), one Ca(3), one Si(2), and one Si(4) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Ca(1), one Mg(2), one Mg(3), and one Si(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one K(1), one Mg(1), one Al(1), and one Si(2) atom. In the seventh O site, O(7) is bonded to one Ca(3), one Mg(2), one Mg(3), and one Si(3) atom to form a mixture of distorted corner and edge-sharing OCaMg2Si tetrahedra. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Ca(2), one Mg(1), one Al(1), and one Si(4) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Ca(2), one Mg(1), and one Si(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Ca(3), one Mg(2), and one Si(2) atom. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one K(1), one Al(1), and one Si(3) atom. In the twelfth O site, O(12) is bonded in a distorted T-shaped geometry to one Ca(1), one Mg(3), and one Si(4) atom. is represented by the CIF card [CIF]
data_KCa3Mg3Al(SiO3)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.002
_cell_length_b   5.323
_cell_length_c   9.784
_cell_angle_alpha   74.718
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   452.251
_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
  K  K0  1  0.811  0.500  0.500  1.0
  Ca  Ca1  1  0.302  0.000  0.000  1.0
  Ca  Ca2  1  0.194  0.000  0.500  1.0
  Ca  Ca3  1  0.696  0.500  0.000  1.0
  Mg  Mg4  1  0.407  0.500  0.500  1.0
  Mg  Mg5  1  0.905  0.000  0.000  1.0
  Mg  Mg6  1  0.091  0.500  0.000  1.0
  Al  Al7  1  0.598  0.000  0.500  1.0
  Si  Si8  1  0.093  0.687  0.285  1.0
  Si  Si9  1  0.593  0.184  0.782  1.0
  Si  Si10  1  0.093  0.313  0.715  1.0
  Si  Si11  1  0.593  0.816  0.218  1.0
  Si  Si12  1  0.903  0.816  0.714  1.0
  Si  Si13  1  0.410  0.307  0.216  1.0
  Si  Si14  1  0.903  0.184  0.286  1.0
  Si  Si15  1  0.410  0.693  0.784  1.0
  O  O16  1  0.019  0.387  0.343  1.0
  O  O17  1  0.520  0.887  0.855  1.0
  O  O18  1  0.019  0.613  0.657  1.0
  O  O19  1  0.520  0.113  0.145  1.0
  O  O20  1  0.989  0.102  0.653  1.0
  O  O21  1  0.481  0.608  0.158  1.0
  O  O22  1  0.989  0.898  0.347  1.0
  O  O23  1  0.481  0.392  0.842  1.0
  O  O24  1  0.090  0.775  0.113  1.0
  O  O25  1  0.575  0.248  0.611  1.0
  O  O26  1  0.090  0.225  0.887  1.0
  O  O27  1  0.575  0.752  0.389  1.0
  O  O28  1  0.905  0.725  0.886  1.0
  O  O29  1  0.425  0.213  0.388  1.0
  O  O30  1  0.905  0.275  0.114  1.0
  O  O31  1  0.425  0.787  0.612  1.0
  O  O32  1  0.248  0.698  0.364  1.0
  O  O33  1  0.749  0.213  0.856  1.0
  O  O34  1  0.248  0.302  0.636  1.0
  O  O35  1  0.749  0.787  0.144  1.0
  O  O36  1  0.743  0.827  0.637  1.0
  O  O37  1  0.253  0.291  0.141  1.0
  O  O38  1  0.743  0.173  0.363  1.0
  O  O39  1  0.253  0.709  0.859  1.0
[/CIF]
.