The compound described by NaCaScZn(SiO3)4 is Esseneite-derived structured and crystallizes in the monoclinic P2/c space group. Na(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Sc(1) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms to form ScO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with four equivalent Si(2)O4 tetrahedra, and edges with two equivalent Zn(1)O6 octahedra. Zn(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms to form ZnO6 octahedra that share corners with two equivalent Si(2)O4 tetrahedra, corners with four equivalent Si(1)O4 tetrahedra, and edges with two equivalent Sc(1)O6 octahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SiO4 tetrahedra that share  a cornercorner with one Sc(1)O6 octahedra, corners with two equivalent Zn(1)O6 octahedra, and corners with two equivalent Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-59°. In the second Si site, Si(2) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Zn(1)O6 octahedra, corners with two equivalent Sc(1)O6 octahedra, and corners with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-59°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Na(1), one Ca(1), one Si(1), and one Si(2) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Ca(1), one Zn(1), and one Si(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ca(1), one Sc(1), one Zn(1), and one Si(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Na(1), one Ca(1), one Si(1), and one Si(2) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Na(1), one Sc(1), and one Si(2) atom. In the sixth O site, O(6) 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. is represented by the CIF card [CIF]
data_NaCaScZn(SiO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.107
_cell_length_b   5.361
_cell_length_c   9.894
_cell_angle_alpha   75.015
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   466.619
_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
  Na  Na0  1  0.553  0.000  0.750  1.0
  Na  Na1  1  0.447  0.000  0.250  1.0
  Ca  Ca2  1  0.050  0.500  0.250  1.0
  Ca  Ca3  1  0.950  0.500  0.750  1.0
  Sc  Sc4  1  0.646  0.500  0.250  1.0
  Sc  Sc5  1  0.354  0.500  0.750  1.0
  Zn  Zn6  1  0.152  0.000  0.750  1.0
  Zn  Zn7  1  0.848  0.000  0.250  1.0
  Si  Si8  1  0.841  0.197  0.539  1.0
  Si  Si9  1  0.841  0.803  0.961  1.0
  Si  Si10  1  0.339  0.700  0.037  1.0
  Si  Si11  1  0.159  0.197  0.039  1.0
  Si  Si12  1  0.339  0.300  0.463  1.0
  Si  Si13  1  0.159  0.803  0.461  1.0
  Si  Si14  1  0.661  0.700  0.537  1.0
  Si  Si15  1  0.661  0.300  0.963  1.0
  O  O16  1  0.766  0.095  0.902  1.0
  O  O17  1  0.997  0.209  0.612  1.0
  O  O18  1  0.836  0.283  0.368  1.0
  O  O19  1  0.260  0.590  0.400  1.0
  O  O20  1  0.836  0.717  0.132  1.0
  O  O21  1  0.497  0.700  0.110  1.0
  O  O22  1  0.234  0.095  0.402  1.0
  O  O23  1  0.997  0.791  0.888  1.0
  O  O24  1  0.335  0.776  0.867  1.0
  O  O25  1  0.003  0.209  0.112  1.0
  O  O26  1  0.766  0.905  0.598  1.0
  O  O27  1  0.164  0.283  0.868  1.0
  O  O28  1  0.335  0.224  0.633  1.0
  O  O29  1  0.740  0.590  0.900  1.0
  O  O30  1  0.497  0.300  0.390  1.0
  O  O31  1  0.164  0.717  0.632  1.0
  O  O32  1  0.503  0.700  0.610  1.0
  O  O33  1  0.260  0.410  0.100  1.0
  O  O34  1  0.003  0.791  0.388  1.0
  O  O35  1  0.665  0.776  0.367  1.0
  O  O36  1  0.234  0.905  0.098  1.0
  O  O37  1  0.665  0.224  0.133  1.0
  O  O38  1  0.503  0.300  0.890  1.0
  O  O39  1  0.740  0.410  0.600  1.0
[/CIF]
.
The compound described by NaCaScZn(SiO3)4 is Esseneite-derived structured and crystallizes in the monoclinic P2/c space group. Na(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Sc(1) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms to form ScO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with four equivalent Si(2)O4 tetrahedra, and edges with two equivalent Zn(1)O6 octahedra. Zn(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms to form ZnO6 octahedra that share corners with two equivalent Si(2)O4 tetrahedra, corners with four equivalent Si(1)O4 tetrahedra, and edges with two equivalent Sc(1)O6 octahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SiO4 tetrahedra that share  a cornercorner with one Sc(1)O6 octahedra, corners with two equivalent Zn(1)O6 octahedra, and corners with two equivalent Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-59°. In the second Si site, Si(2) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Zn(1)O6 octahedra, corners with two equivalent Sc(1)O6 octahedra, and corners with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-59°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Na(1), one Ca(1), one Si(1), and one Si(2) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Ca(1), one Zn(1), and one Si(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ca(1), one Sc(1), one Zn(1), and one Si(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Na(1), one Ca(1), one Si(1), and one Si(2) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Na(1), one Sc(1), and one Si(2) atom. In the sixth O site, O(6) 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. is represented by the CIF card [CIF]
data_NaCaScZn(SiO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.107
_cell_length_b   5.361
_cell_length_c   9.894
_cell_angle_alpha   75.015
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   466.619
_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
  Na  Na0  1  0.553  0.000  0.750  1.0
  Na  Na1  1  0.447  0.000  0.250  1.0
  Ca  Ca2  1  0.050  0.500  0.250  1.0
  Ca  Ca3  1  0.950  0.500  0.750  1.0
  Sc  Sc4  1  0.646  0.500  0.250  1.0
  Sc  Sc5  1  0.354  0.500  0.750  1.0
  Zn  Zn6  1  0.152  0.000  0.750  1.0
  Zn  Zn7  1  0.848  0.000  0.250  1.0
  Si  Si8  1  0.841  0.197  0.539  1.0
  Si  Si9  1  0.841  0.803  0.961  1.0
  Si  Si10  1  0.339  0.700  0.037  1.0
  Si  Si11  1  0.159  0.197  0.039  1.0
  Si  Si12  1  0.339  0.300  0.463  1.0
  Si  Si13  1  0.159  0.803  0.461  1.0
  Si  Si14  1  0.661  0.700  0.537  1.0
  Si  Si15  1  0.661  0.300  0.963  1.0
  O  O16  1  0.766  0.095  0.902  1.0
  O  O17  1  0.997  0.209  0.612  1.0
  O  O18  1  0.836  0.283  0.368  1.0
  O  O19  1  0.260  0.590  0.400  1.0
  O  O20  1  0.836  0.717  0.132  1.0
  O  O21  1  0.497  0.700  0.110  1.0
  O  O22  1  0.234  0.095  0.402  1.0
  O  O23  1  0.997  0.791  0.888  1.0
  O  O24  1  0.335  0.776  0.867  1.0
  O  O25  1  0.003  0.209  0.112  1.0
  O  O26  1  0.766  0.905  0.598  1.0
  O  O27  1  0.164  0.283  0.868  1.0
  O  O28  1  0.335  0.224  0.633  1.0
  O  O29  1  0.740  0.590  0.900  1.0
  O  O30  1  0.497  0.300  0.390  1.0
  O  O31  1  0.164  0.717  0.632  1.0
  O  O32  1  0.503  0.700  0.610  1.0
  O  O33  1  0.260  0.410  0.100  1.0
  O  O34  1  0.003  0.791  0.388  1.0
  O  O35  1  0.665  0.776  0.367  1.0
  O  O36  1  0.234  0.905  0.098  1.0
  O  O37  1  0.665  0.224  0.133  1.0
  O  O38  1  0.503  0.300  0.890  1.0
  O  O39  1  0.740  0.410  0.600  1.0
[/CIF]
.