The crystal structure described by Sr4MgV2Fe2(AsO3)2 crystallizes in the orthorhombic Pmm2 space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form corner-sharing SrO4 tetrahedra. In the second Sr site, Sr(2) is bonded in a 4-coordinate geometry to four equivalent As(2), two equivalent O(3), and two equivalent O(4) atoms. In the third Sr site, Sr(3) is bonded in a 7-coordinate geometry to one O(6), two equivalent O(2), and four equivalent O(5) atoms. In the fourth Sr site, Sr(4) is bonded in a 9-coordinate geometry to one O(5), two equivalent O(3), two equivalent O(4), and four equivalent O(6) atoms. Mg(1) is bonded in a 3-coordinate geometry to two equivalent As(1) and one O(1) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded in a distorted T-shaped geometry to one O(5) and two equivalent O(2) atoms. In the second V site, V(2) is bonded to one O(6), two equivalent O(3), and two equivalent O(4) atoms to form corner-sharing VO5 square pyramids. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent As(1) and two equivalent As(2) atoms to form a mixture of distorted corner and edge-sharing FeAs4 tetrahedra. In the second Fe site, Fe(2) is bonded to two equivalent As(1) and two equivalent As(2) atoms to form a mixture of distorted corner and edge-sharing FeAs4 tetrahedra. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 6-coordinate geometry to two equivalent Mg(1), two equivalent Fe(1), and two equivalent Fe(2) atoms. In the second As site, As(2) is bonded in a 8-coordinate geometry to four equivalent Sr(2), two equivalent Fe(1), and two equivalent Fe(2) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Sr(1) and one Mg(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(3), and two equivalent V(1) atoms. In the third O site, O(3) is bonded to two equivalent Sr(2), two equivalent Sr(4), and two equivalent V(2) atoms to form distorted OSr4V2 octahedra that share corners with two equivalent O(3)Sr4V2 octahedra, corners with two equivalent O(5)Sr5V octahedra, corners with four equivalent O(6)Sr5V octahedra, edges with two equivalent O(3)Sr4V2 octahedra, faces with two equivalent O(6)Sr5V octahedra, and faces with four equivalent O(4)Sr4V2 octahedra. The corner-sharing octahedral tilt angles range from 10-54°. In the fourth O site, O(4) is bonded to two equivalent Sr(2), two equivalent Sr(4), and two equivalent V(2) atoms to form distorted OSr4V2 octahedra that share corners with two equivalent O(4)Sr4V2 octahedra, corners with two equivalent O(5)Sr5V octahedra, corners with four equivalent O(6)Sr5V octahedra, edges with two equivalent O(4)Sr4V2 octahedra, faces with two equivalent O(6)Sr5V octahedra, and faces with four equivalent O(3)Sr4V2 octahedra. The corner-sharing octahedral tilt angles range from 12-53°. In the fifth O site, O(5) is bonded to one Sr(4), four equivalent Sr(3), and one V(1) atom to form distorted OSr5V octahedra that share corners with two equivalent O(3)Sr4V2 octahedra, corners with two equivalent O(4)Sr4V2 octahedra, corners with four equivalent O(5)Sr5V octahedra, edges with four equivalent O(5)Sr5V octahedra, and edges with four equivalent O(6)Sr5V octahedra. The corner-sharing octahedral tilt angles range from 3-47°. In the sixth O site, O(6) is bonded to one Sr(3), four equivalent Sr(4), and one V(2) atom to form distorted OSr5V octahedra that share corners with four equivalent O(3)Sr4V2 octahedra, corners with four equivalent O(4)Sr4V2 octahedra, corners with four equivalent O(6)Sr5V octahedra, edges with four equivalent O(5)Sr5V octahedra, edges with four equivalent O(6)Sr5V octahedra, faces with two equivalent O(3)Sr4V2 octahedra, and faces with two equivalent O(4)Sr4V2 octahedra. The corner-sharing octahedral tilt angles range from 14-54°. is represented by the CIF card [CIF]
data_Sr4MgV2Fe2(AsO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.071
_cell_length_b   3.971
_cell_length_c   19.659
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   317.803
_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
  Sr  Sr0  1  0.250  0.250  0.727  1.0
  Sr  Sr1  1  0.750  0.750  0.211  1.0
  Sr  Sr2  1  0.250  0.250  0.527  1.0
  Sr  Sr3  1  0.750  0.750  0.391  1.0
  Mg  Mg4  1  0.250  0.750  0.885  1.0
  V  V5  1  0.750  0.750  0.620  1.0
  V  V6  1  0.250  0.250  0.306  1.0
  Fe  Fe7  1  0.250  0.750  0.050  1.0
  Fe  Fe8  1  0.750  0.250  0.049  1.0
  As  As9  1  0.750  0.750  0.965  1.0
  As  As10  1  0.250  0.250  0.133  1.0
  O  O11  1  0.250  0.750  0.789  1.0
  O  O12  1  0.750  0.250  0.645  1.0
  O  O13  1  0.750  0.250  0.297  1.0
  O  O14  1  0.250  0.750  0.295  1.0
  O  O15  1  0.750  0.750  0.523  1.0
  O  O16  1  0.250  0.250  0.409  1.0
[/CIF]
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The crystal structure described by Sr4MgV2Fe2(AsO3)2 crystallizes in the orthorhombic Pmm2 space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form corner-sharing SrO4 tetrahedra. In the second Sr site, Sr(2) is bonded in a 4-coordinate geometry to four equivalent As(2), two equivalent O(3), and two equivalent O(4) atoms. In the third Sr site, Sr(3) is bonded in a 7-coordinate geometry to one O(6), two equivalent O(2), and four equivalent O(5) atoms. In the fourth Sr site, Sr(4) is bonded in a 9-coordinate geometry to one O(5), two equivalent O(3), two equivalent O(4), and four equivalent O(6) atoms. Mg(1) is bonded in a 3-coordinate geometry to two equivalent As(1) and one O(1) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded in a distorted T-shaped geometry to one O(5) and two equivalent O(2) atoms. In the second V site, V(2) is bonded to one O(6), two equivalent O(3), and two equivalent O(4) atoms to form corner-sharing VO5 square pyramids. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent As(1) and two equivalent As(2) atoms to form a mixture of distorted corner and edge-sharing FeAs4 tetrahedra. In the second Fe site, Fe(2) is bonded to two equivalent As(1) and two equivalent As(2) atoms to form a mixture of distorted corner and edge-sharing FeAs4 tetrahedra. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 6-coordinate geometry to two equivalent Mg(1), two equivalent Fe(1), and two equivalent Fe(2) atoms. In the second As site, As(2) is bonded in a 8-coordinate geometry to four equivalent Sr(2), two equivalent Fe(1), and two equivalent Fe(2) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Sr(1) and one Mg(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(3), and two equivalent V(1) atoms. In the third O site, O(3) is bonded to two equivalent Sr(2), two equivalent Sr(4), and two equivalent V(2) atoms to form distorted OSr4V2 octahedra that share corners with two equivalent O(3)Sr4V2 octahedra, corners with two equivalent O(5)Sr5V octahedra, corners with four equivalent O(6)Sr5V octahedra, edges with two equivalent O(3)Sr4V2 octahedra, faces with two equivalent O(6)Sr5V octahedra, and faces with four equivalent O(4)Sr4V2 octahedra. The corner-sharing octahedral tilt angles range from 10-54°. In the fourth O site, O(4) is bonded to two equivalent Sr(2), two equivalent Sr(4), and two equivalent V(2) atoms to form distorted OSr4V2 octahedra that share corners with two equivalent O(4)Sr4V2 octahedra, corners with two equivalent O(5)Sr5V octahedra, corners with four equivalent O(6)Sr5V octahedra, edges with two equivalent O(4)Sr4V2 octahedra, faces with two equivalent O(6)Sr5V octahedra, and faces with four equivalent O(3)Sr4V2 octahedra. The corner-sharing octahedral tilt angles range from 12-53°. In the fifth O site, O(5) is bonded to one Sr(4), four equivalent Sr(3), and one V(1) atom to form distorted OSr5V octahedra that share corners with two equivalent O(3)Sr4V2 octahedra, corners with two equivalent O(4)Sr4V2 octahedra, corners with four equivalent O(5)Sr5V octahedra, edges with four equivalent O(5)Sr5V octahedra, and edges with four equivalent O(6)Sr5V octahedra. The corner-sharing octahedral tilt angles range from 3-47°. In the sixth O site, O(6) is bonded to one Sr(3), four equivalent Sr(4), and one V(2) atom to form distorted OSr5V octahedra that share corners with four equivalent O(3)Sr4V2 octahedra, corners with four equivalent O(4)Sr4V2 octahedra, corners with four equivalent O(6)Sr5V octahedra, edges with four equivalent O(5)Sr5V octahedra, edges with four equivalent O(6)Sr5V octahedra, faces with two equivalent O(3)Sr4V2 octahedra, and faces with two equivalent O(4)Sr4V2 octahedra. The corner-sharing octahedral tilt angles range from 14-54°. is represented by the CIF card [CIF]
data_Sr4MgV2Fe2(AsO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.071
_cell_length_b   3.971
_cell_length_c   19.659
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   317.803
_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
  Sr  Sr0  1  0.250  0.250  0.727  1.0
  Sr  Sr1  1  0.750  0.750  0.211  1.0
  Sr  Sr2  1  0.250  0.250  0.527  1.0
  Sr  Sr3  1  0.750  0.750  0.391  1.0
  Mg  Mg4  1  0.250  0.750  0.885  1.0
  V  V5  1  0.750  0.750  0.620  1.0
  V  V6  1  0.250  0.250  0.306  1.0
  Fe  Fe7  1  0.250  0.750  0.050  1.0
  Fe  Fe8  1  0.750  0.250  0.049  1.0
  As  As9  1  0.750  0.750  0.965  1.0
  As  As10  1  0.250  0.250  0.133  1.0
  O  O11  1  0.250  0.750  0.789  1.0
  O  O12  1  0.750  0.250  0.645  1.0
  O  O13  1  0.750  0.250  0.297  1.0
  O  O14  1  0.250  0.750  0.295  1.0
  O  O15  1  0.750  0.750  0.523  1.0
  O  O16  1  0.250  0.250  0.409  1.0
[/CIF]
.