The material described by NaCa3ScZn3(SiO3)8 is Esseneite-derived structured and crystallizes in the monoclinic P2 space group. Na(1) is bonded in a 8-coordinate geometry to two equivalent O(11), two equivalent O(2), two equivalent O(7), and two equivalent O(9) 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(1), two equivalent O(10), two equivalent O(12), and two equivalent O(8) atoms. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to two equivalent O(11), two equivalent O(4), two equivalent O(5), 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(12), two equivalent O(3), and two equivalent O(6) atoms. Sc(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(7) atoms to form ScO6 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 Zn(1)O6 octahedra. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form ZnO6 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 Sc(1)O6 octahedra. In the second Zn site, Zn(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form ZnO6 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 Zn(3)O6 octahedra. In the third Zn site, Zn(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(8) atoms to form ZnO6 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 Zn(2)O6 octahedra. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(11), one O(5), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Zn(1)O6 octahedra,  a cornercorner with one Zn(2)O6 octahedra,  a cornercorner with one Zn(3)O6 octahedra, and corners with two equivalent Si(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 36-59°. In the second Si site, Si(2) is bonded to one O(10), one O(12), one O(2), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Sc(1)O6 octahedra,  a cornercorner with one Zn(1)O6 octahedra,  a cornercorner with one Zn(2)O6 octahedra, and corners with two equivalent Si(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-58°. In the third Si site, Si(3) is bonded to one O(11), one O(3), one O(7), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Sc(1)O6 octahedra,  a cornercorner with one Zn(2)O6 octahedra,  a cornercorner with one Zn(3)O6 octahedra, and corners with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-59°. In the fourth Si site, Si(4) is bonded to one O(10), one O(12), one O(4), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Sc(1)O6 octahedra,  a cornercorner with one Zn(1)O6 octahedra,  a cornercorner with one Zn(3)O6 octahedra, and corners with two equivalent Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-59°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), one Zn(2), one Zn(3), and one Si(1) atom to form a mixture of distorted edge and corner-sharing OCaZn2Si trigonal pyramids. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Sc(1), one Zn(1), and one Si(2) atom. In the third O site, O(3) is bonded to one Ca(3), one Zn(2), one Zn(3), and one Si(3) atom to form a mixture of distorted edge and corner-sharing OCaZn2Si trigonal pyramids. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ca(2), one Sc(1), one Zn(1), and one Si(4) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Ca(2), one Zn(1), and one Si(1) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Ca(3), one Zn(2), and one Si(2) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Na(1), one Sc(1), and one Si(3) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Ca(1), one Zn(3), and one Si(4) atom. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to one Na(1), one Ca(2), one Si(1), and one Si(3) atom. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to one Ca(1), one Ca(3), one Si(2), and one Si(4) atom. In the eleventh O site, O(11) is bonded in a 2-coordinate geometry to one Na(1), one Ca(2), one Si(1), and one Si(3) atom. In the twelfth O site, O(12) is bonded in a 2-coordinate geometry to one Ca(1), one Ca(3), one Si(2), and one Si(4) atom. is represented by the CIF file [CIF]
data_NaCa3ScZn3(SiO3)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.097
_cell_length_b   5.332
_cell_length_c   9.898
_cell_angle_alpha   75.014
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   463.816
_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
  Na  Na0  1  0.804  0.500  0.500  1.0
  Ca  Ca1  1  0.296  0.000  0.000  1.0
  Ca  Ca2  1  0.197  0.000  0.500  1.0
  Ca  Ca3  1  0.704  0.500  0.000  1.0
  Sc  Sc4  1  0.603  0.000  0.500  1.0
  Zn  Zn5  1  0.401  0.500  0.500  1.0
  Zn  Zn6  1  0.905  0.000  0.000  1.0
  Zn  Zn7  1  0.094  0.500  0.000  1.0
  Si  Si8  1  0.090  0.694  0.288  1.0
  Si  Si9  1  0.592  0.196  0.787  1.0
  Si  Si10  1  0.090  0.306  0.712  1.0
  Si  Si11  1  0.592  0.804  0.213  1.0
  Si  Si12  1  0.910  0.804  0.713  1.0
  Si  Si13  1  0.408  0.305  0.212  1.0
  Si  Si14  1  0.910  0.196  0.287  1.0
  Si  Si15  1  0.408  0.695  0.788  1.0
  O  O16  1  0.089  0.778  0.117  1.0
  O  O17  1  0.584  0.275  0.617  1.0
  O  O18  1  0.089  0.222  0.883  1.0
  O  O19  1  0.584  0.725  0.383  1.0
  O  O20  1  0.910  0.721  0.883  1.0
  O  O21  1  0.414  0.219  0.383  1.0
  O  O22  1  0.910  0.279  0.117  1.0
  O  O23  1  0.414  0.781  0.617  1.0
  O  O24  1  0.247  0.710  0.361  1.0
  O  O25  1  0.747  0.211  0.862  1.0
  O  O26  1  0.247  0.290  0.639  1.0
  O  O27  1  0.747  0.789  0.138  1.0
  O  O28  1  0.751  0.798  0.640  1.0
  O  O29  1  0.252  0.289  0.139  1.0
  O  O30  1  0.751  0.202  0.360  1.0
  O  O31  1  0.252  0.711  0.861  1.0
  O  O32  1  0.018  0.398  0.349  1.0
  O  O33  1  0.517  0.899  0.850  1.0
  O  O34  1  0.018  0.602  0.651  1.0
  O  O35  1  0.517  0.101  0.150  1.0
  O  O36  1  0.986  0.096  0.651  1.0
  O  O37  1  0.483  0.600  0.151  1.0
  O  O38  1  0.986  0.904  0.349  1.0
  O  O39  1  0.483  0.400  0.849  1.0
[/CIF]
.
The material described by NaCa3ScZn3(SiO3)8 is Esseneite-derived structured and crystallizes in the monoclinic P2 space group. Na(1) is bonded in a 8-coordinate geometry to two equivalent O(11), two equivalent O(2), two equivalent O(7), and two equivalent O(9) 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(1), two equivalent O(10), two equivalent O(12), and two equivalent O(8) atoms. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to two equivalent O(11), two equivalent O(4), two equivalent O(5), 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(12), two equivalent O(3), and two equivalent O(6) atoms. Sc(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(7) atoms to form ScO6 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 Zn(1)O6 octahedra. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form ZnO6 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 Sc(1)O6 octahedra. In the second Zn site, Zn(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form ZnO6 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 Zn(3)O6 octahedra. In the third Zn site, Zn(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(8) atoms to form ZnO6 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 Zn(2)O6 octahedra. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(11), one O(5), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Zn(1)O6 octahedra,  a cornercorner with one Zn(2)O6 octahedra,  a cornercorner with one Zn(3)O6 octahedra, and corners with two equivalent Si(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 36-59°. In the second Si site, Si(2) is bonded to one O(10), one O(12), one O(2), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Sc(1)O6 octahedra,  a cornercorner with one Zn(1)O6 octahedra,  a cornercorner with one Zn(2)O6 octahedra, and corners with two equivalent Si(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-58°. In the third Si site, Si(3) is bonded to one O(11), one O(3), one O(7), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Sc(1)O6 octahedra,  a cornercorner with one Zn(2)O6 octahedra,  a cornercorner with one Zn(3)O6 octahedra, and corners with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-59°. In the fourth Si site, Si(4) is bonded to one O(10), one O(12), one O(4), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Sc(1)O6 octahedra,  a cornercorner with one Zn(1)O6 octahedra,  a cornercorner with one Zn(3)O6 octahedra, and corners with two equivalent Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-59°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), one Zn(2), one Zn(3), and one Si(1) atom to form a mixture of distorted edge and corner-sharing OCaZn2Si trigonal pyramids. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Sc(1), one Zn(1), and one Si(2) atom. In the third O site, O(3) is bonded to one Ca(3), one Zn(2), one Zn(3), and one Si(3) atom to form a mixture of distorted edge and corner-sharing OCaZn2Si trigonal pyramids. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ca(2), one Sc(1), one Zn(1), and one Si(4) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Ca(2), one Zn(1), and one Si(1) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Ca(3), one Zn(2), and one Si(2) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Na(1), one Sc(1), and one Si(3) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Ca(1), one Zn(3), and one Si(4) atom. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to one Na(1), one Ca(2), one Si(1), and one Si(3) atom. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to one Ca(1), one Ca(3), one Si(2), and one Si(4) atom. In the eleventh O site, O(11) is bonded in a 2-coordinate geometry to one Na(1), one Ca(2), one Si(1), and one Si(3) atom. In the twelfth O site, O(12) is bonded in a 2-coordinate geometry to one Ca(1), one Ca(3), one Si(2), and one Si(4) atom. is represented by the CIF file [CIF]
data_NaCa3ScZn3(SiO3)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.097
_cell_length_b   5.332
_cell_length_c   9.898
_cell_angle_alpha   75.014
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   463.816
_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
  Na  Na0  1  0.804  0.500  0.500  1.0
  Ca  Ca1  1  0.296  0.000  0.000  1.0
  Ca  Ca2  1  0.197  0.000  0.500  1.0
  Ca  Ca3  1  0.704  0.500  0.000  1.0
  Sc  Sc4  1  0.603  0.000  0.500  1.0
  Zn  Zn5  1  0.401  0.500  0.500  1.0
  Zn  Zn6  1  0.905  0.000  0.000  1.0
  Zn  Zn7  1  0.094  0.500  0.000  1.0
  Si  Si8  1  0.090  0.694  0.288  1.0
  Si  Si9  1  0.592  0.196  0.787  1.0
  Si  Si10  1  0.090  0.306  0.712  1.0
  Si  Si11  1  0.592  0.804  0.213  1.0
  Si  Si12  1  0.910  0.804  0.713  1.0
  Si  Si13  1  0.408  0.305  0.212  1.0
  Si  Si14  1  0.910  0.196  0.287  1.0
  Si  Si15  1  0.408  0.695  0.788  1.0
  O  O16  1  0.089  0.778  0.117  1.0
  O  O17  1  0.584  0.275  0.617  1.0
  O  O18  1  0.089  0.222  0.883  1.0
  O  O19  1  0.584  0.725  0.383  1.0
  O  O20  1  0.910  0.721  0.883  1.0
  O  O21  1  0.414  0.219  0.383  1.0
  O  O22  1  0.910  0.279  0.117  1.0
  O  O23  1  0.414  0.781  0.617  1.0
  O  O24  1  0.247  0.710  0.361  1.0
  O  O25  1  0.747  0.211  0.862  1.0
  O  O26  1  0.247  0.290  0.639  1.0
  O  O27  1  0.747  0.789  0.138  1.0
  O  O28  1  0.751  0.798  0.640  1.0
  O  O29  1  0.252  0.289  0.139  1.0
  O  O30  1  0.751  0.202  0.360  1.0
  O  O31  1  0.252  0.711  0.861  1.0
  O  O32  1  0.018  0.398  0.349  1.0
  O  O33  1  0.517  0.899  0.850  1.0
  O  O34  1  0.018  0.602  0.651  1.0
  O  O35  1  0.517  0.101  0.150  1.0
  O  O36  1  0.986  0.096  0.651  1.0
  O  O37  1  0.483  0.600  0.151  1.0
  O  O38  1  0.986  0.904  0.349  1.0
  O  O39  1  0.483  0.400  0.849  1.0
[/CIF]
.