The structure described by NaCa3MgFe(Si2O7)2 crystallizes in the orthorhombic Pma2 space group. Na(1) is bonded in a 4-coordinate geometry to one O(1), one O(4), and two equivalent O(3) atoms. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a distorted bent 120 degrees geometry to one O(1) and one O(9) atom. In the second Ca site, Ca(2) is bonded in a 7-coordinate geometry to one O(2), one O(4), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. Mg(1) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(8) atoms. Fe(1) is bonded in a square co-planar geometry to two equivalent O(3) and two equivalent O(7) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(2), one O(4), one O(5), one O(7), and one O(8) atom to form a mixture of corner and edge-sharing SiO5 trigonal bipyramids. In the second Si site, Si(2) is bonded to one O(1), two equivalent O(3), and two equivalent O(6) atoms to form distorted edge-sharing SiO5 trigonal bipyramids. In the third Si site, Si(3) is bonded to one O(9), two equivalent O(2), and two equivalent O(6) atoms to form a mixture of distorted corner and edge-sharing SiO5 trigonal bipyramids. There are nine inequivalent O sites. In the first O site, O(6) is bonded in a distorted water-like geometry to one Ca(2), one Si(2), and one Si(3) atom. In the second O site, O(7) is bonded in a 3-coordinate geometry to one Ca(2), one Fe(1), and one Si(1) atom. In the third O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Ca(2), one Mg(1), and one Si(1) atom. In the fourth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Ca(1), two equivalent Ca(2), and one Si(3) atom. In the fifth O site, O(1) is bonded in a distorted T-shaped geometry to one Na(1), one Ca(1), and one Si(2) atom. In the sixth O site, O(2) is bonded in a 4-coordinate geometry to one Ca(2), one Mg(1), one Si(1), and one Si(3) atom. In the seventh O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one Fe(1), and one Si(2) atom. In the eighth O site, O(4) is bonded in a 5-coordinate geometry to one Na(1), two equivalent Ca(2), and two equivalent Si(1) atoms. In the ninth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ca(2) and two equivalent Si(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaCa3MgFe(Si2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.919
_cell_length_b   10.129
_cell_length_c   11.422
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   684.826
_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  0.146  0.487  0.750  1.0
  Na  Na1  1  0.146  0.513  0.250  1.0
  Ca  Ca2  1  0.065  0.196  0.250  1.0
  Ca  Ca3  1  0.065  0.804  0.750  1.0
  Ca  Ca4  1  0.792  0.190  0.599  1.0
  Ca  Ca5  1  0.792  0.190  0.901  1.0
  Ca  Ca6  1  0.792  0.810  0.401  1.0
  Ca  Ca7  1  0.792  0.810  0.099  1.0
  Mg  Mg8  1  0.280  0.000  0.000  1.0
  Mg  Mg9  1  0.280  0.000  0.500  1.0
  Fe  Fe10  1  0.460  0.500  0.500  1.0
  Fe  Fe11  1  0.460  0.500  0.000  1.0
  Si  Si12  1  0.333  0.216  0.637  1.0
  Si  Si13  1  0.333  0.784  0.363  1.0
  Si  Si14  1  0.333  0.784  0.137  1.0
  Si  Si15  1  0.333  0.216  0.863  1.0
  Si  Si16  1  0.597  0.685  0.750  1.0
  Si  Si17  1  0.603  0.954  0.750  1.0
  Si  Si18  1  0.597  0.315  0.250  1.0
  Si  Si19  1  0.603  0.046  0.250  1.0
  O  O20  1  0.861  0.368  0.250  1.0
  O  O21  1  0.861  0.632  0.750  1.0
  O  O22  1  0.449  0.050  0.861  1.0
  O  O23  1  0.428  0.598  0.654  1.0
  O  O24  1  0.428  0.598  0.846  1.0
  O  O25  1  0.449  0.950  0.361  1.0
  O  O26  1  0.449  0.050  0.639  1.0
  O  O27  1  0.428  0.402  0.346  1.0
  O  O28  1  0.449  0.950  0.139  1.0
  O  O29  1  0.428  0.402  0.154  1.0
  O  O30  1  0.141  0.254  0.750  1.0
  O  O31  1  0.538  0.753  0.250  1.0
  O  O32  1  0.538  0.247  0.750  1.0
  O  O33  1  0.141  0.746  0.250  1.0
  O  O34  1  0.611  0.174  0.351  1.0
  O  O35  1  0.611  0.826  0.851  1.0
  O  O36  1  0.611  0.174  0.149  1.0
  O  O37  1  0.611  0.826  0.649  1.0
  O  O38  1  0.475  0.677  0.443  1.0
  O  O39  1  0.137  0.832  0.466  1.0
  O  O40  1  0.137  0.832  0.034  1.0
  O  O41  1  0.137  0.168  0.966  1.0
  O  O42  1  0.475  0.677  0.057  1.0
  O  O43  1  0.137  0.168  0.534  1.0
  O  O44  1  0.475  0.323  0.943  1.0
  O  O45  1  0.475  0.323  0.557  1.0
  O  O46  1  0.858  0.020  0.750  1.0
  O  O47  1  0.858  0.980  0.250  1.0
[/CIF]
.
The structure described by NaCa3MgFe(Si2O7)2 crystallizes in the orthorhombic Pma2 space group. Na(1) is bonded in a 4-coordinate geometry to one O(1), one O(4), and two equivalent O(3) atoms. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a distorted bent 120 degrees geometry to one O(1) and one O(9) atom. In the second Ca site, Ca(2) is bonded in a 7-coordinate geometry to one O(2), one O(4), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. Mg(1) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(8) atoms. Fe(1) is bonded in a square co-planar geometry to two equivalent O(3) and two equivalent O(7) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(2), one O(4), one O(5), one O(7), and one O(8) atom to form a mixture of corner and edge-sharing SiO5 trigonal bipyramids. In the second Si site, Si(2) is bonded to one O(1), two equivalent O(3), and two equivalent O(6) atoms to form distorted edge-sharing SiO5 trigonal bipyramids. In the third Si site, Si(3) is bonded to one O(9), two equivalent O(2), and two equivalent O(6) atoms to form a mixture of distorted corner and edge-sharing SiO5 trigonal bipyramids. There are nine inequivalent O sites. In the first O site, O(6) is bonded in a distorted water-like geometry to one Ca(2), one Si(2), and one Si(3) atom. In the second O site, O(7) is bonded in a 3-coordinate geometry to one Ca(2), one Fe(1), and one Si(1) atom. In the third O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Ca(2), one Mg(1), and one Si(1) atom. In the fourth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Ca(1), two equivalent Ca(2), and one Si(3) atom. In the fifth O site, O(1) is bonded in a distorted T-shaped geometry to one Na(1), one Ca(1), and one Si(2) atom. In the sixth O site, O(2) is bonded in a 4-coordinate geometry to one Ca(2), one Mg(1), one Si(1), and one Si(3) atom. In the seventh O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one Fe(1), and one Si(2) atom. In the eighth O site, O(4) is bonded in a 5-coordinate geometry to one Na(1), two equivalent Ca(2), and two equivalent Si(1) atoms. In the ninth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ca(2) and two equivalent Si(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaCa3MgFe(Si2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.919
_cell_length_b   10.129
_cell_length_c   11.422
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   684.826
_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  0.146  0.487  0.750  1.0
  Na  Na1  1  0.146  0.513  0.250  1.0
  Ca  Ca2  1  0.065  0.196  0.250  1.0
  Ca  Ca3  1  0.065  0.804  0.750  1.0
  Ca  Ca4  1  0.792  0.190  0.599  1.0
  Ca  Ca5  1  0.792  0.190  0.901  1.0
  Ca  Ca6  1  0.792  0.810  0.401  1.0
  Ca  Ca7  1  0.792  0.810  0.099  1.0
  Mg  Mg8  1  0.280  0.000  0.000  1.0
  Mg  Mg9  1  0.280  0.000  0.500  1.0
  Fe  Fe10  1  0.460  0.500  0.500  1.0
  Fe  Fe11  1  0.460  0.500  0.000  1.0
  Si  Si12  1  0.333  0.216  0.637  1.0
  Si  Si13  1  0.333  0.784  0.363  1.0
  Si  Si14  1  0.333  0.784  0.137  1.0
  Si  Si15  1  0.333  0.216  0.863  1.0
  Si  Si16  1  0.597  0.685  0.750  1.0
  Si  Si17  1  0.603  0.954  0.750  1.0
  Si  Si18  1  0.597  0.315  0.250  1.0
  Si  Si19  1  0.603  0.046  0.250  1.0
  O  O20  1  0.861  0.368  0.250  1.0
  O  O21  1  0.861  0.632  0.750  1.0
  O  O22  1  0.449  0.050  0.861  1.0
  O  O23  1  0.428  0.598  0.654  1.0
  O  O24  1  0.428  0.598  0.846  1.0
  O  O25  1  0.449  0.950  0.361  1.0
  O  O26  1  0.449  0.050  0.639  1.0
  O  O27  1  0.428  0.402  0.346  1.0
  O  O28  1  0.449  0.950  0.139  1.0
  O  O29  1  0.428  0.402  0.154  1.0
  O  O30  1  0.141  0.254  0.750  1.0
  O  O31  1  0.538  0.753  0.250  1.0
  O  O32  1  0.538  0.247  0.750  1.0
  O  O33  1  0.141  0.746  0.250  1.0
  O  O34  1  0.611  0.174  0.351  1.0
  O  O35  1  0.611  0.826  0.851  1.0
  O  O36  1  0.611  0.174  0.149  1.0
  O  O37  1  0.611  0.826  0.649  1.0
  O  O38  1  0.475  0.677  0.443  1.0
  O  O39  1  0.137  0.832  0.466  1.0
  O  O40  1  0.137  0.832  0.034  1.0
  O  O41  1  0.137  0.168  0.966  1.0
  O  O42  1  0.475  0.677  0.057  1.0
  O  O43  1  0.137  0.168  0.534  1.0
  O  O44  1  0.475  0.323  0.943  1.0
  O  O45  1  0.475  0.323  0.557  1.0
  O  O46  1  0.858  0.020  0.750  1.0
  O  O47  1  0.858  0.980  0.250  1.0
[/CIF]
.