Ca2YbF7 crystallizes in the triclinic P1 space group. There are ten inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 2-coordinate geometry to one F(1), one F(18), one F(2), one F(24), and one F(33) atom. In the second Ca site, Ca(2) is bonded in a 1-coordinate geometry to one F(3), one F(4), one F(6), and one F(9) atom. In the third Ca site, Ca(3) is bonded in a 1-coordinate geometry to one F(10), one F(12), one F(13), one F(16), one F(21), and one F(24) atom. In the fourth Ca site, Ca(4) is bonded in a distorted bent 120 degrees geometry to one F(11), one F(16), one F(19), and one F(8) atom. In the fifth Ca site, Ca(5) is bonded in a distorted bent 120 degrees geometry to one F(17), one F(20), one F(24), and one F(27) atom. In the sixth Ca site, Ca(6) is bonded in a 1-coordinate geometry to one F(11), one F(15), one F(20), one F(22), one F(23), and one F(25) atom. In the seventh Ca site, Ca(7) is bonded in a rectangular see-saw-like geometry to one F(10), one F(13), one F(22), and one F(25) atom. In the eighth Ca site, Ca(8) is bonded in a 2-coordinate geometry to one F(26), one F(28), one F(30), and one F(31) atom. In the ninth Ca site, Ca(9) is bonded in a 2-coordinate geometry to one F(17), one F(28), one F(31), one F(32), one F(35), and one F(6) atom. In the tenth Ca site, Ca(10) is bonded in a 2-coordinate geometry to one F(11), one F(2), one F(32), one F(33), and one F(34) atom. There are five inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 1-coordinate geometry to one F(15), one F(4), one F(5), one F(8), and one F(9) atom. In the second Yb site, Yb(2) is bonded in a 6-coordinate geometry to one F(1), one F(15), one F(18), one F(24), one F(35), and one F(8) atom. In the third Yb site, Yb(3) is bonded in a 8-coordinate geometry to one F(14), one F(18), one F(19), one F(25), one F(28), one F(3), one F(6), and one F(7) atom. In the fourth Yb site, Yb(4) is bonded in a 2-coordinate geometry to one F(21), one F(26), one F(27), one F(29), and one F(30) atom. In the fifth Yb site, Yb(5) is bonded in a 6-coordinate geometry to one F(11), one F(14), one F(21), one F(27), one F(32), and one F(34) atom. There are thirty-five inequivalent F sites. In the first F site, F(1) is bonded in a distorted single-bond geometry to one Ca(1) and one Yb(2) atom. In the second F site, F(2) is bonded in a distorted bent 120 degrees geometry to one Ca(1) and one Ca(10) atom. In the third F site, F(3) is bonded in a distorted water-like geometry to one Ca(2) and one Yb(3) atom. In the fourth F site, F(4) is bonded in a distorted L-shaped geometry to one Ca(2) and one Yb(1) atom. In the fifth F site, F(5) is bonded in a single-bond geometry to one Yb(1) and one F(8) atom. In the sixth F site, F(6) is bonded in a 3-coordinate geometry to one Ca(2), one Ca(9), and one Yb(3) atom. In the seventh F site, F(7) is bonded in a 1-coordinate geometry to one Yb(3) atom. In the eighth F site, F(8) is bonded in a 4-coordinate geometry to one Ca(4), one Yb(1), one Yb(2), and one F(5) atom. In the ninth F site, F(9) is bonded in a 2-coordinate geometry to one Ca(2) and one Yb(1) atom. In the tenth F site, F(10) is bonded in an L-shaped geometry to one Ca(3) and one Ca(7) atom. In the eleventh F site, F(11) is bonded in a 4-coordinate geometry to one Ca(10), one Ca(4), one Ca(6), and one Yb(5) atom. In the twelfth F site, F(12) is bonded in a single-bond geometry to one Ca(3) atom. In the thirteenth F site, F(13) is bonded in a distorted L-shaped geometry to one Ca(3) and one Ca(7) atom. In the fourteenth F site, F(14) is bonded in a distorted bent 150 degrees geometry to one Yb(3) and one Yb(5) atom. In the fifteenth F site, F(15) is bonded in a 3-coordinate geometry to one Ca(6), one Yb(1), and one Yb(2) atom. In the sixteenth F site, F(16) is bonded in a distorted bent 150 degrees geometry to one Ca(3) and one Ca(4) atom. In the seventeenth F site, F(17) is bonded in a 3-coordinate geometry to one Ca(5), one Ca(9), and one F(32) atom. In the eighteenth F site, F(18) is bonded in a 4-coordinate geometry to one Ca(1), one Yb(2), one Yb(3), and one F(19) atom. In the nineteenth F site, F(19) is bonded in a 3-coordinate geometry to one Ca(4), one Yb(3), and one F(18) atom. In the twentieth F site, F(20) is bonded in a 2-coordinate geometry to one Ca(5) and one Ca(6) atom. In the twenty-first F site, F(21) is bonded in a 3-coordinate geometry to one Ca(3), one Yb(4), and one Yb(5) atom. In the twenty-second F site, F(22) is bonded in a water-like geometry to one Ca(6) and one Ca(7) atom. In the twenty-third F site, F(23) is bonded in a distorted single-bond geometry to one Ca(6) atom. In the twenty-fourth F site, F(24) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(3), one Ca(5), and one Yb(2) atom. In the twenty-fifth F site, F(25) is bonded in an L-shaped geometry to one Ca(6), one Ca(7), and one Yb(3) atom. In the twenty-sixth F site, F(26) is bonded in a 2-coordinate geometry to one Ca(8) and one Yb(4) atom. In the twenty-seventh F site, F(27) is bonded in a 4-coordinate geometry to one Ca(5), one Yb(4), one Yb(5), and one F(29) atom. In the twenty-eighth F site, F(28) is bonded in a 3-coordinate geometry to one Ca(8), one Ca(9), and one Yb(3) atom. In the twenty-ninth F site, F(29) is bonded in a single-bond geometry to one Yb(4) and one F(27) atom. In the thirtieth F site, F(30) is bonded in an L-shaped geometry to one Ca(8) and one Yb(4) atom. In the thirty-first F site, F(31) is bonded in a distorted water-like geometry to one Ca(8) and one Ca(9) atom. In the thirty-second F site, F(32) is bonded in a 4-coordinate geometry to one Ca(10), one Ca(9), one Yb(5), and one F(17) atom. In the thirty-third F site, F(33) is bonded in a 2-coordinate geometry to one Ca(1) and one Ca(10) atom. In the thirty-fourth F site, F(34) is bonded in a distorted single-bond geometry to one Ca(10) and one Yb(5) atom. In the thirty-fifth F site, F(35) is bonded in a distorted bent 150 degrees geometry to one Ca(9) and one Yb(2) atom.
Ca2YbF7 crystallizes in the triclinic P1 space group. There are ten inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 2-coordinate geometry to one F(1), one F(18), one F(2), one F(24), and one F(33) atom. The Ca(1)-F(1) bond length is 1.63 Å. The Ca(1)-F(18) bond length is 2.87 Å. The Ca(1)-F(2) bond length is 1.67 Å. The Ca(1)-F(24) bond length is 2.44 Å. The Ca(1)-F(33) bond length is 1.97 Å. In the second Ca site, Ca(2) is bonded in a 1-coordinate geometry to one F(3), one F(4), one F(6), and one F(9) atom. The Ca(2)-F(3) bond length is 1.54 Å. The Ca(2)-F(4) bond length is 2.05 Å. The Ca(2)-F(6) bond length is 2.34 Å. The Ca(2)-F(9) bond length is 2.57 Å. In the third Ca site, Ca(3) is bonded in a 1-coordinate geometry to one F(10), one F(12), one F(13), one F(16), one F(21), and one F(24) atom. The Ca(3)-F(10) bond length is 2.01 Å. The Ca(3)-F(12) bond length is 2.42 Å. The Ca(3)-F(13) bond length is 1.98 Å. The Ca(3)-F(16) bond length is 1.37 Å. The Ca(3)-F(21) bond length is 2.07 Å. The Ca(3)-F(24) bond length is 2.88 Å. In the fourth Ca site, Ca(4) is bonded in a distorted bent 120 degrees geometry to one F(11), one F(16), one F(19), and one F(8) atom. The Ca(4)-F(11) bond length is 2.87 Å. The Ca(4)-F(16) bond length is 1.80 Å. The Ca(4)-F(19) bond length is 1.96 Å. The Ca(4)-F(8) bond length is 2.48 Å. In the fifth Ca site, Ca(5) is bonded in a distorted bent 120 degrees geometry to one F(17), one F(20), one F(24), and one F(27) atom. The Ca(5)-F(17) bond length is 1.95 Å. The Ca(5)-F(20) bond length is 1.79 Å. The Ca(5)-F(24) bond length is 2.85 Å. The Ca(5)-F(27) bond length is 2.46 Å. In the sixth Ca site, Ca(6) is bonded in a 1-coordinate geometry to one F(11), one F(15), one F(20), one F(22), one F(23), and one F(25) atom. The Ca(6)-F(11) bond length is 2.84 Å. The Ca(6)-F(15) bond length is 2.08 Å. The Ca(6)-F(20) bond length is 1.43 Å. The Ca(6)-F(22) bond length is 1.94 Å. The Ca(6)-F(23) bond length is 2.44 Å. The Ca(6)-F(25) bond length is 1.91 Å. In the seventh Ca site, Ca(7) is bonded in a rectangular see-saw-like geometry to one F(10), one F(13), one F(22), and one F(25) atom. The Ca(7)-F(10) bond length is 1.98 Å. The Ca(7)-F(13) bond length is 1.84 Å. The Ca(7)-F(22) bond length is 1.71 Å. The Ca(7)-F(25) bond length is 1.97 Å. In the eighth Ca site, Ca(8) is bonded in a 2-coordinate geometry to one F(26), one F(28), one F(30), and one F(31) atom. The Ca(8)-F(26) bond length is 2.55 Å. The Ca(8)-F(28) bond length is 2.36 Å. The Ca(8)-F(30) bond length is 2.00 Å. The Ca(8)-F(31) bond length is 1.57 Å. In the ninth Ca site, Ca(9) is bonded in a 2-coordinate geometry to one F(17), one F(28), one F(31), one F(32), one F(35), and one F(6) atom. The Ca(9)-F(17) bond length is 2.28 Å. The Ca(9)-F(28) bond length is 2.01 Å. The Ca(9)-F(31) bond length is 1.90 Å. The Ca(9)-F(32) bond length is 2.33 Å. The Ca(9)-F(35) bond length is 2.20 Å. The Ca(9)-F(6) bond length is 2.74 Å. In the tenth Ca site, Ca(10) is bonded in a 2-coordinate geometry to one F(11), one F(2), one F(32), one F(33), and one F(34) atom. The Ca(10)-F(11) bond length is 2.45 Å. The Ca(10)-F(2) bond length is 1.96 Å. The Ca(10)-F(32) bond length is 2.86 Å. The Ca(10)-F(33) bond length is 1.64 Å. The Ca(10)-F(34) bond length is 1.69 Å. There are five inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 1-coordinate geometry to one F(15), one F(4), one F(5), one F(8), and one F(9) atom. The Yb(1)-F(15) bond length is 2.46 Å. The Yb(1)-F(4) bond length is 1.87 Å. The Yb(1)-F(5) bond length is 1.28 Å. The Yb(1)-F(8) bond length is 1.82 Å. The Yb(1)-F(9) bond length is 2.49 Å. In the second Yb site, Yb(2) is bonded in a 6-coordinate geometry to one F(1), one F(15), one F(18), one F(24), one F(35), and one F(8) atom. The Yb(2)-F(1) bond length is 2.58 Å. The Yb(2)-F(15) bond length is 2.38 Å. The Yb(2)-F(18) bond length is 2.18 Å. The Yb(2)-F(24) bond length is 2.67 Å. The Yb(2)-F(35) bond length is 2.23 Å. The Yb(2)-F(8) bond length is 2.12 Å. In the third Yb site, Yb(3) is bonded in a 8-coordinate geometry to one F(14), one F(18), one F(19), one F(25), one F(28), one F(3), one F(6), and one F(7) atom. The Yb(3)-F(14) bond length is 2.17 Å. The Yb(3)-F(18) bond length is 2.29 Å. The Yb(3)-F(19) bond length is 2.28 Å. The Yb(3)-F(25) bond length is 3.01 Å. The Yb(3)-F(28) bond length is 2.72 Å. The Yb(3)-F(3) bond length is 1.89 Å. The Yb(3)-F(6) bond length is 1.94 Å. The Yb(3)-F(7) bond length is 2.80 Å. In the fourth Yb site, Yb(4) is bonded in a 2-coordinate geometry to one F(21), one F(26), one F(27), one F(29), and one F(30) atom. The Yb(4)-F(21) bond length is 2.43 Å. The Yb(4)-F(26) bond length is 2.48 Å. The Yb(4)-F(27) bond length is 1.83 Å. The Yb(4)-F(29) bond length is 1.25 Å. The Yb(4)-F(30) bond length is 1.79 Å. In the fifth Yb site, Yb(5) is bonded in a 6-coordinate geometry to one F(11), one F(14), one F(21), one F(27), one F(32), and one F(34) atom. The Yb(5)-F(11) bond length is 2.69 Å. The Yb(5)-F(14) bond length is 2.24 Å. The Yb(5)-F(21) bond length is 2.40 Å. The Yb(5)-F(27) bond length is 2.12 Å. The Yb(5)-F(32) bond length is 2.17 Å. The Yb(5)-F(34) bond length is 2.64 Å. There are thirty-five inequivalent F sites. In the first F site, F(1) is bonded in a distorted single-bond geometry to one Ca(1) and one Yb(2) atom. In the second F site, F(2) is bonded in a distorted bent 120 degrees geometry to one Ca(1) and one Ca(10) atom. In the third F site, F(3) is bonded in a distorted water-like geometry to one Ca(2) and one Yb(3) atom. In the fourth F site, F(4) is bonded in a distorted L-shaped geometry to one Ca(2) and one Yb(1) atom. In the fifth F site, F(5) is bonded in a single-bond geometry to one Yb(1) and one F(8) atom. The F(5)-F(8) bond length is 1.45 Å. In the sixth F site, F(6) is bonded in a 3-coordinate geometry to one Ca(2), one Ca(9), and one Yb(3) atom. In the seventh F site, F(7) is bonded in a 1-coordinate geometry to one Yb(3) atom. In the eighth F site, F(8) is bonded in a 4-coordinate geometry to one Ca(4), one Yb(1), one Yb(2), and one F(5) atom. In the ninth F site, F(9) is bonded in a 2-coordinate geometry to one Ca(2) and one Yb(1) atom. In the tenth F site, F(10) is bonded in an L-shaped geometry to one Ca(3) and one Ca(7) atom. In the eleventh F site, F(11) is bonded in a 4-coordinate geometry to one Ca(10), one Ca(4), one Ca(6), and one Yb(5) atom. In the twelfth F site, F(12) is bonded in a single-bond geometry to one Ca(3) atom. In the thirteenth F site, F(13) is bonded in a distorted L-shaped geometry to one Ca(3) and one Ca(7) atom. In the fourteenth F site, F(14) is bonded in a distorted bent 150 degrees geometry to one Yb(3) and one Yb(5) atom. In the fifteenth F site, F(15) is bonded in a 3-coordinate geometry to one Ca(6), one Yb(1), and one Yb(2) atom. In the sixteenth F site, F(16) is bonded in a distorted bent 150 degrees geometry to one Ca(3) and one Ca(4) atom. In the seventeenth F site, F(17) is bonded in a 3-coordinate geometry to one Ca(5), one Ca(9), and one F(32) atom. The F(17)-F(32) bond length is 1.35 Å. In the eighteenth F site, F(18) is bonded in a 4-coordinate geometry to one Ca(1), one Yb(2), one Yb(3), and one F(19) atom. The F(18)-F(19) bond length is 1.33 Å. In the nineteenth F site, F(19) is bonded in a 3-coordinate geometry to one Ca(4), one Yb(3), and one F(18) atom. In the twentieth F site, F(20) is bonded in a 2-coordinate geometry to one Ca(5) and one Ca(6) atom. In the twenty-first F site, F(21) is bonded in a 3-coordinate geometry to one Ca(3), one Yb(4), and one Yb(5) atom. In the twenty-second F site, F(22) is bonded in a water-like geometry to one Ca(6) and one Ca(7) atom. In the twenty-third F site, F(23) is bonded in a distorted single-bond geometry to one Ca(6) atom. In the twenty-fourth F site, F(24) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(3), one Ca(5), and one Yb(2) atom. In the twenty-fifth F site, F(25) is bonded in an L-shaped geometry to one Ca(6), one Ca(7), and one Yb(3) atom. In the twenty-sixth F site, F(26) is bonded in a 2-coordinate geometry to one Ca(8) and one Yb(4) atom. In the twenty-seventh F site, F(27) is bonded in a 4-coordinate geometry to one Ca(5), one Yb(4), one Yb(5), and one F(29) atom. The F(27)-F(29) bond length is 1.42 Å. In the twenty-eighth F site, F(28) is bonded in a 3-coordinate geometry to one Ca(8), one Ca(9), and one Yb(3) atom. In the twenty-ninth F site, F(29) is bonded in a single-bond geometry to one Yb(4) and one F(27) atom. In the thirtieth F site, F(30) is bonded in an L-shaped geometry to one Ca(8) and one Yb(4) atom. In the thirty-first F site, F(31) is bonded in a distorted water-like geometry to one Ca(8) and one Ca(9) atom. In the thirty-second F site, F(32) is bonded in a 4-coordinate geometry to one Ca(10), one Ca(9), one Yb(5), and one F(17) atom. In the thirty-third F site, F(33) is bonded in a 2-coordinate geometry to one Ca(1) and one Ca(10) atom. In the thirty-fourth F site, F(34) is bonded in a distorted single-bond geometry to one Ca(10) and one Yb(5) atom. In the thirty-fifth F site, F(35) is bonded in a distorted bent 150 degrees geometry to one Ca(9) and one Yb(2) atom.