Cs4Te(PO6)3 crystallizes in the monoclinic P2_1/m space group. There are three inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 9-coordinate geometry to one O(9), two equivalent O(1), two equivalent O(4), two equivalent O(5), and two equivalent O(8) atoms. In the second Cs site, Cs(2) is bonded in a 7-coordinate geometry to one O(1), one O(11), one O(4), one O(6), one O(7), one O(8), and one O(9) atom. In the third Cs site, Cs(3) is bonded in a 9-coordinate geometry to one O(10), one O(2), one O(3), two equivalent O(11), two equivalent O(5), and two equivalent O(6) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(5), one O(6), one O(7), and one O(8) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(10), one O(9), and two equivalent O(11) atoms. Te(1) is bonded in an octahedral geometry to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms. There are eleven inequivalent O sites. In the first O site, O(6) is bonded in a single-bond geometry to one Cs(2), one Cs(3), and one P(1) atom. In the second O site, O(7) is bonded in a distorted single-bond geometry to one Cs(2) and one P(1) atom. In the third O site, O(8) is bonded in a single-bond geometry to one Cs(1), one Cs(2), and one P(1) atom. In the fourth O site, O(9) is bonded in a single-bond geometry to one Cs(1), two equivalent Cs(2), and one P(2) atom. In the fifth O site, O(10) is bonded in a single-bond geometry to one Cs(3) and one P(2) atom. In the sixth O site, O(1) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), and one Te(1) atom. In the seventh O site, O(11) is bonded in a distorted single-bond geometry to one Cs(2), one Cs(3), and one P(2) atom. In the eighth O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Cs(3) and one Te(1) atom. In the ninth O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Cs(3) and one Te(1) atom. In the tenth O site, O(4) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), and one Te(1) atom. In the eleventh O site, O(5) is bonded in a single-bond geometry to one Cs(1), one Cs(3), and one P(1) atom.
Cs4Te(PO6)3 crystallizes in the monoclinic P2_1/m space group. There are three inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 9-coordinate geometry to one O(9), two equivalent O(1), two equivalent O(4), two equivalent O(5), and two equivalent O(8) atoms. The Cs(1)-O(9) bond length is 3.44 Å. Both Cs(1)-O(1) bond lengths are 3.27 Å. Both Cs(1)-O(4) bond lengths are 3.30 Å. Both Cs(1)-O(5) bond lengths are 3.39 Å. Both Cs(1)-O(8) bond lengths are 3.23 Å. In the second Cs site, Cs(2) is bonded in a 7-coordinate geometry to one O(1), one O(11), one O(4), one O(6), one O(7), one O(8), and one O(9) atom. The Cs(2)-O(1) bond length is 3.07 Å. The Cs(2)-O(11) bond length is 3.14 Å. The Cs(2)-O(4) bond length is 3.10 Å. The Cs(2)-O(6) bond length is 3.29 Å. The Cs(2)-O(7) bond length is 3.15 Å. The Cs(2)-O(8) bond length is 3.44 Å. The Cs(2)-O(9) bond length is 3.56 Å. In the third Cs site, Cs(3) is bonded in a 9-coordinate geometry to one O(10), one O(2), one O(3), two equivalent O(11), two equivalent O(5), and two equivalent O(6) atoms. The Cs(3)-O(10) bond length is 3.36 Å. The Cs(3)-O(2) bond length is 3.19 Å. The Cs(3)-O(3) bond length is 3.14 Å. Both Cs(3)-O(11) bond lengths are 3.61 Å. Both Cs(3)-O(5) bond lengths are 3.41 Å. Both Cs(3)-O(6) bond lengths are 3.36 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(5), one O(6), one O(7), and one O(8) atom. The P(1)-O(5) bond length is 1.55 Å. The P(1)-O(6) bond length is 1.54 Å. The P(1)-O(7) bond length is 1.55 Å. The P(1)-O(8) bond length is 1.54 Å. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(10), one O(9), and two equivalent O(11) atoms. The P(2)-O(10) bond length is 1.55 Å. The P(2)-O(9) bond length is 1.54 Å. Both P(2)-O(11) bond lengths are 1.54 Å. Te(1) is bonded in an octahedral geometry to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms. The Te(1)-O(2) bond length is 1.94 Å. The Te(1)-O(3) bond length is 1.92 Å. Both Te(1)-O(1) bond lengths are 1.94 Å. Both Te(1)-O(4) bond lengths are 1.93 Å. There are eleven inequivalent O sites. In the first O site, O(6) is bonded in a single-bond geometry to one Cs(2), one Cs(3), and one P(1) atom. In the second O site, O(7) is bonded in a distorted single-bond geometry to one Cs(2) and one P(1) atom. In the third O site, O(8) is bonded in a single-bond geometry to one Cs(1), one Cs(2), and one P(1) atom. In the fourth O site, O(9) is bonded in a single-bond geometry to one Cs(1), two equivalent Cs(2), and one P(2) atom. In the fifth O site, O(10) is bonded in a single-bond geometry to one Cs(3) and one P(2) atom. In the sixth O site, O(1) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), and one Te(1) atom. In the seventh O site, O(11) is bonded in a distorted single-bond geometry to one Cs(2), one Cs(3), and one P(2) atom. In the eighth O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Cs(3) and one Te(1) atom. In the ninth O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Cs(3) and one Te(1) atom. In the tenth O site, O(4) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), and one Te(1) atom. In the eleventh O site, O(5) is bonded in a single-bond geometry to one Cs(1), one Cs(3), and one P(1) atom.