The structure described by NaCaGaSi2O7 crystallizes in the orthorhombic P2_12_12_1 space group. Na(1) is bonded in a 4-coordinate geometry to one O(2), one O(3), one O(4), and one O(7) atom. Ca(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. Ga(1) is bonded in a distorted L-shaped geometry to one O(2) and one O(7) atom. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(3), one O(6), and one O(7) atom to form corner-sharing SiO4 tetrahedra. In the second Si site, Si(2) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form corner-sharing SiO4 tetrahedra. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Ca(1), one Si(1), and one Si(2) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Na(1), one Ca(1), one Ga(1), and one Si(2) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Na(1), one Ca(1), and one Si(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Na(1), one Ca(1), and one O(5) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ca(1), one Si(2), and one O(4) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Ca(1), one Si(1), and one Si(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Na(1), one Ga(1), and one Si(1) atom. is represented by the CIF card [CIF]
data_NaCaGaSi2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.265
_cell_length_b   9.574
_cell_length_c   10.823
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   752.847
_cell_formula_units_Z   4
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  0.358  0.984  0.339  1.0
  Na  Na1  1  0.642  0.484  0.161  1.0
  Na  Na2  1  0.858  0.516  0.661  1.0
  Na  Na3  1  0.142  0.016  0.839  1.0
  Ca  Ca4  1  0.322  0.608  0.751  1.0
  Ca  Ca5  1  0.678  0.108  0.749  1.0
  Ca  Ca6  1  0.822  0.892  0.249  1.0
  Ca  Ca7  1  0.178  0.392  0.251  1.0
  Ga  Ga8  1  0.788  0.642  0.946  1.0
  Ga  Ga9  1  0.712  0.358  0.446  1.0
  Ga  Ga10  1  0.288  0.858  0.054  1.0
  Ga  Ga11  1  0.212  0.142  0.554  1.0
  Si  Si12  1  0.010  0.336  0.895  1.0
  Si  Si13  1  0.953  0.140  0.109  1.0
  Si  Si14  1  0.990  0.836  0.605  1.0
  Si  Si15  1  0.047  0.640  0.391  1.0
  Si  Si16  1  0.453  0.360  0.891  1.0
  Si  Si17  1  0.510  0.164  0.105  1.0
  Si  Si18  1  0.547  0.860  0.609  1.0
  Si  Si19  1  0.490  0.664  0.395  1.0
  O  O20  1  0.507  0.207  0.954  1.0
  O  O21  1  0.518  0.506  0.947  1.0
  O  O22  1  0.438  0.298  0.180  1.0
  O  O23  1  0.461  0.952  0.830  1.0
  O  O24  1  0.544  0.325  0.750  1.0
  O  O25  1  0.770  0.871  0.638  1.0
  O  O26  1  0.592  0.518  0.369  1.0
  O  O27  1  0.230  0.371  0.862  1.0
  O  O28  1  0.408  0.018  0.131  1.0
  O  O29  1  0.562  0.798  0.320  1.0
  O  O30  1  0.539  0.452  0.670  1.0
  O  O31  1  0.482  0.006  0.553  1.0
  O  O32  1  0.456  0.825  0.750  1.0
  O  O33  1  0.493  0.707  0.546  1.0
  O  O34  1  0.007  0.293  0.046  1.0
  O  O35  1  0.018  0.994  0.053  1.0
  O  O36  1  0.044  0.175  0.250  1.0
  O  O37  1  0.961  0.548  0.170  1.0
  O  O38  1  0.938  0.202  0.820  1.0
  O  O39  1  0.092  0.982  0.631  1.0
  O  O40  1  0.270  0.629  0.362  1.0
  O  O41  1  0.908  0.482  0.869  1.0
  O  O42  1  0.730  0.129  0.138  1.0
  O  O43  1  0.956  0.675  0.250  1.0
  O  O44  1  0.982  0.494  0.447  1.0
  O  O45  1  0.039  0.048  0.330  1.0
  O  O46  1  0.062  0.702  0.680  1.0
  O  O47  1  0.993  0.793  0.454  1.0
[/CIF]
.
The structure described by NaCaGaSi2O7 crystallizes in the orthorhombic P2_12_12_1 space group. Na(1) is bonded in a 4-coordinate geometry to one O(2), one O(3), one O(4), and one O(7) atom. Ca(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. Ga(1) is bonded in a distorted L-shaped geometry to one O(2) and one O(7) atom. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(3), one O(6), and one O(7) atom to form corner-sharing SiO4 tetrahedra. In the second Si site, Si(2) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form corner-sharing SiO4 tetrahedra. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Ca(1), one Si(1), and one Si(2) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Na(1), one Ca(1), one Ga(1), and one Si(2) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Na(1), one Ca(1), and one Si(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Na(1), one Ca(1), and one O(5) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ca(1), one Si(2), and one O(4) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Ca(1), one Si(1), and one Si(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Na(1), one Ga(1), and one Si(1) atom. is represented by the CIF card [CIF]
data_NaCaGaSi2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.265
_cell_length_b   9.574
_cell_length_c   10.823
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   752.847
_cell_formula_units_Z   4
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  0.358  0.984  0.339  1.0
  Na  Na1  1  0.642  0.484  0.161  1.0
  Na  Na2  1  0.858  0.516  0.661  1.0
  Na  Na3  1  0.142  0.016  0.839  1.0
  Ca  Ca4  1  0.322  0.608  0.751  1.0
  Ca  Ca5  1  0.678  0.108  0.749  1.0
  Ca  Ca6  1  0.822  0.892  0.249  1.0
  Ca  Ca7  1  0.178  0.392  0.251  1.0
  Ga  Ga8  1  0.788  0.642  0.946  1.0
  Ga  Ga9  1  0.712  0.358  0.446  1.0
  Ga  Ga10  1  0.288  0.858  0.054  1.0
  Ga  Ga11  1  0.212  0.142  0.554  1.0
  Si  Si12  1  0.010  0.336  0.895  1.0
  Si  Si13  1  0.953  0.140  0.109  1.0
  Si  Si14  1  0.990  0.836  0.605  1.0
  Si  Si15  1  0.047  0.640  0.391  1.0
  Si  Si16  1  0.453  0.360  0.891  1.0
  Si  Si17  1  0.510  0.164  0.105  1.0
  Si  Si18  1  0.547  0.860  0.609  1.0
  Si  Si19  1  0.490  0.664  0.395  1.0
  O  O20  1  0.507  0.207  0.954  1.0
  O  O21  1  0.518  0.506  0.947  1.0
  O  O22  1  0.438  0.298  0.180  1.0
  O  O23  1  0.461  0.952  0.830  1.0
  O  O24  1  0.544  0.325  0.750  1.0
  O  O25  1  0.770  0.871  0.638  1.0
  O  O26  1  0.592  0.518  0.369  1.0
  O  O27  1  0.230  0.371  0.862  1.0
  O  O28  1  0.408  0.018  0.131  1.0
  O  O29  1  0.562  0.798  0.320  1.0
  O  O30  1  0.539  0.452  0.670  1.0
  O  O31  1  0.482  0.006  0.553  1.0
  O  O32  1  0.456  0.825  0.750  1.0
  O  O33  1  0.493  0.707  0.546  1.0
  O  O34  1  0.007  0.293  0.046  1.0
  O  O35  1  0.018  0.994  0.053  1.0
  O  O36  1  0.044  0.175  0.250  1.0
  O  O37  1  0.961  0.548  0.170  1.0
  O  O38  1  0.938  0.202  0.820  1.0
  O  O39  1  0.092  0.982  0.631  1.0
  O  O40  1  0.270  0.629  0.362  1.0
  O  O41  1  0.908  0.482  0.869  1.0
  O  O42  1  0.730  0.129  0.138  1.0
  O  O43  1  0.956  0.675  0.250  1.0
  O  O44  1  0.982  0.494  0.447  1.0
  O  O45  1  0.039  0.048  0.330  1.0
  O  O46  1  0.062  0.702  0.680  1.0
  O  O47  1  0.993  0.793  0.454  1.0
[/CIF]
.