Sr2NiO3Cl crystallizes in the triclinic P-1 space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to two equivalent O(2); three equivalent O(1); and four O(3,3,3,3) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to two equivalent O(1); three equivalent O(2); and four O(3,3,3,3) atoms. In the third Sr site, Sr(3) is bonded in a 9-coordinate geometry to four O(3,3,3,3); two equivalent Cl(1); and three equivalent Cl(2) atoms. In the fourth Sr site, Sr(4) is bonded in a 8-coordinate geometry to four O(3,3,3,3); two equivalent Cl(2); and three equivalent Cl(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1) and four O(3,3,3,3) atoms to form corner-sharing NiO5 square pyramids. In the second Ni site, Ni(2) is bonded to one O(2) and four O(3,3,3,3) atoms to form corner-sharing NiO5 square pyramids. There are six inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(2), three equivalent Sr(1), and one Ni(1) atom to form distorted OSr5Ni octahedra that share corners with four equivalent O(1)Sr5Ni octahedra; corners with twelve O(3,3,3,3)Sr4Ni2 octahedra; edges with two equivalent O(1)Sr5Ni octahedra; edges with six equivalent O(2)Sr5Ni octahedra; and faces with four O(3,3,3,3)Sr4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 14-56°. In the second O site, O(2) is bonded to two equivalent Sr(1), three equivalent Sr(2), and one Ni(2) atom to form distorted OSr5Ni octahedra that share corners with four equivalent O(2)Sr5Ni octahedra; corners with twelve O(3,3,3,3)Sr4Ni2 octahedra; edges with two equivalent O(2)Sr5Ni octahedra; edges with six equivalent O(1)Sr5Ni octahedra; and faces with four O(3,3,3,3)Sr4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 12-54°. In the third O site, O(3) is bonded to one Sr(1), one Sr(2), one Sr(3), one Sr(4), one Ni(1), and one Ni(2) atom to form distorted OSr4Ni2 octahedra that share corners with two equivalent O(3)Sr4Ni2 octahedra; corners with three equivalent O(1)Sr5Ni octahedra; corners with three equivalent O(2)Sr5Ni octahedra; edges with two equivalent O(3)Sr4Ni2 octahedra;  a faceface with one O(1)Sr5Ni octahedra;  a faceface with one O(2)Sr5Ni octahedra; and faces with four O(3,3)Sr4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 17-55°. In the fourth O site, O(3) is bonded to one Sr(1), one Sr(2), one Sr(3), one Sr(4), one Ni(1), and one Ni(2) atom to form distorted OSr4Ni2 octahedra that share corners with two equivalent O(3)Sr4Ni2 octahedra; corners with three equivalent O(1)Sr5Ni octahedra; corners with three equivalent O(2)Sr5Ni octahedra; edges with two equivalent O(3)Sr4Ni2 octahedra;  a faceface with one O(1)Sr5Ni octahedra;  a faceface with one O(2)Sr5Ni octahedra; and faces with four O(3,3)Sr4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 17-56°. In the fifth O site, O(3) is bonded to one Sr(1), one Sr(2), one Sr(3), one Sr(4), one Ni(1), and one Ni(2) atom to form distorted OSr4Ni2 octahedra that share corners with two equivalent O(3)Sr4Ni2 octahedra; corners with three equivalent O(1)Sr5Ni octahedra; corners with three equivalent O(2)Sr5Ni octahedra; edges with two equivalent O(3)Sr4Ni2 octahedra;  a faceface with one O(1)Sr5Ni octahedra;  a faceface with one O(2)Sr5Ni octahedra; and faces with four O(3,3)Sr4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 17-55°. In the sixth O site, O(3) is bonded to one Sr(1), one Sr(2), one Sr(3), one Sr(4), one Ni(1), and one Ni(2) atom to form distorted OSr4Ni2 octahedra that share corners with two equivalent O(3)Sr4Ni2 octahedra; corners with three equivalent O(1)Sr5Ni octahedra; corners with three equivalent O(2)Sr5Ni octahedra; edges with two equivalent O(3)Sr4Ni2 octahedra;  a faceface with one O(1)Sr5Ni octahedra;  a faceface with one O(2)Sr5Ni octahedra; and faces with four O(3,3)Sr4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 17-55°. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 5-coordinate geometry to two equivalent Sr(3) and three equivalent Sr(4) atoms. In the second Cl site, Cl(2) is bonded in a 5-coordinate geometry to two equivalent Sr(4) and three equivalent Sr(3) atoms.
Sr2NiO3Cl crystallizes in the triclinic P-1 space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to two equivalent O(2); three equivalent O(1); and four O(3,3,3,3) atoms. Both Sr(1)-O(2) bond lengths are 2.77 Å. There is one shorter (2.44 Å) and two longer (2.77 Å) Sr(1)-O(1) bond lengths. All Sr(1)-O(3,3,3,3) bond lengths are 2.76 Å. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to two equivalent O(1); three equivalent O(2); and four O(3,3,3,3) atoms. Both Sr(2)-O(1) bond lengths are 2.78 Å. There is one shorter (2.48 Å) and two longer (2.77 Å) Sr(2)-O(2) bond lengths. There is one shorter (2.76 Å) and three longer (2.77 Å) Sr(2)-O(3,3,3,3) bond lengths. In the third Sr site, Sr(3) is bonded in a 9-coordinate geometry to four O(3,3,3,3); two equivalent Cl(1); and three equivalent Cl(2) atoms. All Sr(3)-O(3,3,3,3) bond lengths are 2.56 Å. Both Sr(3)-Cl(1) bond lengths are 2.98 Å. There are two shorter (3.02 Å) and one longer (3.47 Å) Sr(3)-Cl(2) bond length. In the fourth Sr site, Sr(4) is bonded in a 8-coordinate geometry to four O(3,3,3,3); two equivalent Cl(2); and three equivalent Cl(1) atoms. There are two shorter (2.55 Å) and two longer (2.56 Å) Sr(4)-O(3,3,3,3) bond lengths. There is one shorter (3.01 Å) and one longer (3.02 Å) Sr(4)-Cl(2) bond length. There are two shorter (2.99 Å) and one longer (3.55 Å) Sr(4)-Cl(1) bond length. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1) and four O(3,3,3,3) atoms to form corner-sharing NiO5 square pyramids. The Ni(1)-O(1) bond length is 1.94 Å. All Ni(1)-O(3,3,3,3) bond lengths are 2.04 Å. In the second Ni site, Ni(2) is bonded to one O(2) and four O(3,3,3,3) atoms to form corner-sharing NiO5 square pyramids. The Ni(2)-O(2) bond length is 1.97 Å. All Ni(2)-O(3,3,3,3) bond lengths are 1.91 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(2), three equivalent Sr(1), and one Ni(1) atom to form distorted OSr5Ni octahedra that share corners with four equivalent O(1)Sr5Ni octahedra; corners with twelve O(3,3,3,3)Sr4Ni2 octahedra; edges with two equivalent O(1)Sr5Ni octahedra; edges with six equivalent O(2)Sr5Ni octahedra; and faces with four O(3,3,3,3)Sr4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 14-56°. In the second O site, O(2) is bonded to two equivalent Sr(1), three equivalent Sr(2), and one Ni(2) atom to form distorted OSr5Ni octahedra that share corners with four equivalent O(2)Sr5Ni octahedra; corners with twelve O(3,3,3,3)Sr4Ni2 octahedra; edges with two equivalent O(2)Sr5Ni octahedra; edges with six equivalent O(1)Sr5Ni octahedra; and faces with four O(3,3,3,3)Sr4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 12-54°. In the third O site, O(3) is bonded to one Sr(1), one Sr(2), one Sr(3), one Sr(4), one Ni(1), and one Ni(2) atom to form distorted OSr4Ni2 octahedra that share corners with two equivalent O(3)Sr4Ni2 octahedra; corners with three equivalent O(1)Sr5Ni octahedra; corners with three equivalent O(2)Sr5Ni octahedra; edges with two equivalent O(3)Sr4Ni2 octahedra;  a faceface with one O(1)Sr5Ni octahedra;  a faceface with one O(2)Sr5Ni octahedra; and faces with four O(3,3)Sr4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 17-55°. In the fourth O site, O(3) is bonded to one Sr(1), one Sr(2), one Sr(3), one Sr(4), one Ni(1), and one Ni(2) atom to form distorted OSr4Ni2 octahedra that share corners with two equivalent O(3)Sr4Ni2 octahedra; corners with three equivalent O(1)Sr5Ni octahedra; corners with three equivalent O(2)Sr5Ni octahedra; edges with two equivalent O(3)Sr4Ni2 octahedra;  a faceface with one O(1)Sr5Ni octahedra;  a faceface with one O(2)Sr5Ni octahedra; and faces with four O(3,3)Sr4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 17-56°. In the fifth O site, O(3) is bonded to one Sr(1), one Sr(2), one Sr(3), one Sr(4), one Ni(1), and one Ni(2) atom to form distorted OSr4Ni2 octahedra that share corners with two equivalent O(3)Sr4Ni2 octahedra; corners with three equivalent O(1)Sr5Ni octahedra; corners with three equivalent O(2)Sr5Ni octahedra; edges with two equivalent O(3)Sr4Ni2 octahedra;  a faceface with one O(1)Sr5Ni octahedra;  a faceface with one O(2)Sr5Ni octahedra; and faces with four O(3,3)Sr4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 17-55°. In the sixth O site, O(3) is bonded to one Sr(1), one Sr(2), one Sr(3), one Sr(4), one Ni(1), and one Ni(2) atom to form distorted OSr4Ni2 octahedra that share corners with two equivalent O(3)Sr4Ni2 octahedra; corners with three equivalent O(1)Sr5Ni octahedra; corners with three equivalent O(2)Sr5Ni octahedra; edges with two equivalent O(3)Sr4Ni2 octahedra;  a faceface with one O(1)Sr5Ni octahedra;  a faceface with one O(2)Sr5Ni octahedra; and faces with four O(3,3)Sr4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 17-55°. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 5-coordinate geometry to two equivalent Sr(3) and three equivalent Sr(4) atoms. In the second Cl site, Cl(2) is bonded in a 5-coordinate geometry to two equivalent Sr(4) and three equivalent Sr(3) atoms.