Materials Data on Ca8Bi12O25 by Materials Project

Ca8Bi12O25 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are twenty-four inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded to five O2- atoms to form distorted CaO5 trigonal bipyramids that share a cornercorner with one CaO5 square pyramid and a cornercorner with one BiO4 trigonal pyramid. There are a spread of Ca–O bond distances ranging from 2.23–2.67 Å. In the second Ca2+ site, Ca2+ is bonded to four O2- atoms to form distorted CaO4 trigonal pyramids that share a cornercorner with one CaO6 pentagonal pyramid, corners with three CaO5 trigonal bipyramids, and an edgeedge with one BiO5 square pyramid. There are a spread of Ca–O bond distances ranging from 2.24–2.37 Å. In the third Ca2+ site, Ca2+ is bonded to five O2- atoms to form distorted CaO5 trigonal bipyramids that share a cornercorner with one CaO5 trigonal bipyramid and a cornercorner with one BiO4 trigonal pyramid. There are a spread of Ca–O bond distances ranging from 2.27–2.41 Å. In the fourth Ca2+ site, Ca2+ is bonded to five O2- atoms to form distorted CaO5 square pyramids that share a cornercorner with one CaO5 trigonal bipyramid and an edgeedge with one BiO4 trigonal pyramid. There are a spread of Ca–O bond distances ranging from 2.32–2.44 Å. In the fifth Ca2+ site, Ca2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Ca–O bond distances ranging from 2.20–2.60 Å. In the sixth Ca2+ site, Ca2+ is bonded to six O2- atoms to form distorted CaO6 octahedra that share a cornercorner with one CaO5 trigonal bipyramid, a cornercorner with one BiO4 trigonal pyramid, an edgeedge with one CaO5 trigonal bipyramid, and a faceface with one CaO6 octahedra. There are a spread of Ca–O bond distances ranging from 2.25–2.73 Å. In the seventh Ca2+ site, Ca2+ is bonded to five O2- atoms to form distorted CaO5 trigonal bipyramids that share a cornercorner with one CaO6 octahedra, a cornercorner with one CaO6 pentagonal pyramid, a cornercorner with one CaO5 trigonal bipyramid, and a cornercorner with one CaO4 trigonal pyramid. The corner-sharing octahedral tilt angles are 82°. There are a spread of Ca–O bond distances ranging from 2.23–2.52 Å. In the eighth Ca2+ site, Ca2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ca–O bond distances ranging from 2.30–2.50 Å. In the ninth Ca2+ site, Ca2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ca–O bond distances ranging from 2.36–2.94 Å. In the tenth Ca2+ site, Ca2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Ca–O bond distances ranging from 2.17–2.47 Å. In the eleventh Ca2+ site, Ca2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ca–O bond distances ranging from 2.13–2.47 Å. In the twelfth Ca2+ site, Ca2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Ca–O bond distances ranging from 2.26–2.40 Å. In the thirteenth Ca2+ site, Ca2+ is bonded to six O2- atoms to form distorted CaO6 octahedra that share a cornercorner with one CaO5 trigonal bipyramid, a cornercorner with one BiO4 trigonal pyramid, an edgeedge with one BiO4 trigonal pyramid, and a faceface with one CaO6 octahedra. There are a spread of Ca–O bond distances ranging from 2.30–2.59 Å. In the fourteenth Ca2+ site, Ca2+ is bonded in a 5-coordinate geometry to seven O2- atoms. There are a spread of Ca–O bond distances ranging from 2.33–3.05 Å. In the fifteenth Ca2+ site, Ca2+ is bonded to five O2- atoms to form distorted corner-sharing CaO5 trigonal bipyramids. There are a spread of Ca–O bond distances ranging from 2.25–2.44 Å. In the sixteenth Ca2+ site, Ca2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ca–O bond distances ranging from 2.33–2.63 Å. In the seventeenth Ca2+ site, Ca2+ is bonded in a 4-coordinate geometry to five O2- atoms. There are a spread of Ca–O bond distances ranging from 2.27–2.84 Å. In the eighteenth Ca2+ site, Ca2+ is bonded to five O2- atoms to form distorted CaO5 trigonal bipyramids that share a cornercorner with one CaO6 octahedra, a cornercorner with one BiO5 square pyramid, a cornercorner with one CaO5 trigonal bipyramid, a cornercorner with one CaO4 trigonal pyramid, and an edgeedge with one BiO4 trigonal pyramid. The corner-sharing octahedral tilt angles are 23°. There are a spread of Ca–O bond distances ranging from 2.27–2.42 Å. In the nineteenth Ca2+ site, Ca2+ is bonded to six O2- atoms to form distorted CaO6 pentagonal pyramids that share a cornercorner with one CaO5 trigonal bipyramid, a cornercorner with one CaO4 trigonal pyramid, a cornercorner with one BiO4 trigonal pyramid, an edgeedge with one BiO5 square pyramid, and an edgeedge with one CaO5 trigonal bipyramid. There are a spread of Ca–O bond distances ranging from 2.40–2.52 Å. In the twentieth Ca2+ site, Ca2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ca–O bond distances ranging from 2.21–2.74 Å. In the twenty-first Ca2+ site, Ca2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Ca–O bond distances ranging from 2.26–2.67 Å. In the twenty-second Ca2+ site, Ca2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Ca–O bond distances ranging from 2.23–2.85 Å. In the twenty-third Ca2+ site, Ca2+ is bonded to five O2- atoms to form distorted CaO5 trigonal bipyramids that share a cornercorner with one BiO5 square pyramid, corners with two CaO5 trigonal bipyramids, a cornercorner with one CaO4 trigonal pyramid, an edgeedge with one CaO6 octahedra, and an edgeedge with one CaO6 pentagonal pyramid. There are a spread of Ca–O bond distances ranging from 2.22–2.40 Å. In the twenty-fourth Ca2+ site, Ca2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ca–O bond distances ranging from 2.20–2.45 Å. There are thirty-six inequivalent Bi+2.83+ sites. In the first Bi+2.83+ site, Bi+2.83+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Bi–O bond distances ranging from 2.06–2.19 Å. In the second Bi+2.83+ site, Bi+2.83+ is bonded in an L-shaped geometry to two O2- atoms. There are one shorter (2.11 Å) and one longer (2.17 Å) Bi–O bond lengths. In the third Bi+2.83+ site, Bi+2.83+ is bonded in an L-shaped geometry to two O2- atoms. There are one shorter (2.20 Å) and one longer (2.25 Å) Bi–O bond lengths. In the fourth Bi+2.83+ site, Bi+2.83+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Bi–O bond distances ranging from 2.12–2.30 Å. In the fifth Bi+2.83+ site, Bi+2.83+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Bi–O bond distances ranging from 2.12–2.74 Å. In the sixth Bi+2.83+ site, Bi+2.83+ is bonded to four O2- atoms to form distorted corner-sharing BiO4 trigonal pyramids. There are a spread of Bi–O bond distances ranging from 2.07–2.65 Å. In the seventh Bi+2.83+ site, Bi+2.83+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Bi–O bond distances ranging from 2.12–2.25 Å. In the eighth Bi+2.83+ site, Bi+2.83+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are a spread of Bi–O bond distances ranging from 2.16–2.56 Å. In the ninth Bi+2.83+ site, Bi+2.83+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.10–2.89 Å. In the tenth Bi+2.83+ site, Bi+2.83+ is bonded in a distorted water-like geometry to two O2- atoms. There are one shorter (2.20 Å) and one longer (2.25 Å) Bi–O bond lengths. In the eleventh Bi+2.83+ site, Bi+2.83+ is bonded to four O2- atoms to form distorted BiO4 trigonal pyramids that share a cornercorner with one CaO5 trigonal bipyramid. There are a spread of Bi–O bond distances ranging from 2.12–2.80 Å. In the twelfth Bi+2.83+ site, Bi+2.83+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Bi–O bond distances ranging from 2.13–2.46 Å. In the thirteenth Bi+2.83+ site, Bi+2.83+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Bi–O bond distances ranging from 2.11–2.81 Å. In the fourteenth Bi+2.83+ site, Bi+2.83+ is bonded to four O2- atoms to form distorted BiO4 trigonal pyramids that share corners with two CaO6 octahedra. The corner-sharing octahedra tilt angles range from 42–72°. There are a spread of Bi–O bond distances ranging from 2.12–2.41 Å. In the fifteenth Bi+2.83+ site, Bi+2.83+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Bi–O bond distances ranging from 2.16–2.22 Å. In the sixteenth Bi+2.83+ site, Bi+2.83+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Bi–O bond distances ranging from 2.13–2.44 Å. In the seventeenth Bi+2.83+ site, Bi+2.83+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.21–2.75 Å. In the eighteenth Bi+2.83+ site, Bi+2.83+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Bi–O bond distances ranging from 2.11–2.52 Å. In the nineteenth Bi+2.83+ site, Bi+2.83+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.15–2.75 Å. In the twentieth Bi+2.83+ site, Bi+2.83+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Bi–O bond distances ranging from 2.12–2.40 Å. In the twenty-first Bi+2.83+ site, Bi+2.83+ is bonded in a T-shaped geometry to three O2- atoms. There are a spread of Bi–O bond distances ranging from 2.11–2.64 Å. In the twenty-second Bi+2.83+ site, Bi+2.83+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.16–2.72 Å. In the twenty-third Bi+2.83+ site, Bi+2.83+ is bonded in a distorted pentagonal planar geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.14–2.72 Å. In the twenty-fourth Bi+2.83+ site, Bi+2.83+ is bonded to four O2- atoms to form distorted BiO4 trigonal pyramids that share a cornercorner with one CaO6 pentagonal pyramid, an edgeedge with one CaO6 octahedra, and an edgeedge with one CaO5 trigonal bipyramid. There are a spread of Bi–O bond distances ranging from 2.11–2.80 Å. In the twenty-fifth Bi+2.83+ site, Bi+2.83+ is bonded to four O2- atoms to form distorted BiO4 trigonal pyramids that share a cornercorner with one CaO5 trigonal bipyramid and an edgeedge with one CaO5 square pyramid. There are a spread of Bi–O bond distances ranging from 2.07–2.88 Å. In the twenty-sixth Bi+2.83+ site, Bi+2.83+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Bi–O bond distances ranging from 2.12–2.15 Å. In the twenty-seventh Bi+2.83+ site, Bi+2.83+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Bi–O bond distances ranging from 2.12–2.40 Å. In the twenty-eighth Bi+2.83+ site, Bi+2.83+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Bi–O bond distances ranging from 2.13–2.53 Å. In the twenty-ninth Bi+2.83+ site, Bi+2.83+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are a spread of Bi–O bond distances ranging from 2.12–2.46 Å. In the thirtieth Bi+2.83+ site, Bi+2.83+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Bi–O bond distances ranging from 2.13–2.23 Å. In the thirty-first Bi+2.83+ site, Bi+2.83+ is bonded to five O2- atoms to form distorted BiO5 square pyramids that share corners with two CaO5 trigonal bipyramids, a cornercorner with one BiO4 trigonal pyramid, an edgeedge with one CaO6 pentagonal pyramid, and an edgeedge with one CaO4 trigonal pyramid. There are a spread of Bi–O bond d

Ca₈Bi₁₂O₂₅晶体属于三斜晶系P1空间群，其结构为三维骨架。该体系存在24个不等价的Ca²+位点。
在第1个Ca²+位点中，Ca²+与5个O²-原子配位，形成畸变的CaO₅三角双锥，该多面体与1个CaO₅四方锥共享1个顶点，同时与1个BiO₄三角锥共享1个顶点。Ca-O键的键长分布范围为2.23~2.67 Å。
在第2个Ca²+位点中，Ca²+与4个O²-原子配位，形成畸变的CaO₄三角锥，该多面体与1个CaO₆五方锥共享1个顶点，与3个CaO₅三角双锥共享顶点，并与1个BiO₅四方锥共享1条棱。Ca-O键的键长分布范围为2.24~2.37 Å。
在第3个Ca²+位点中，Ca²+与5个O²-原子配位，形成畸变的CaO₅三角双锥，该多面体与1个CaO₅三角双锥共享1个顶点，同时与1个BiO₄三角锥共享1个顶点。Ca-O键的键长分布范围为2.27~2.41 Å。
在第4个Ca²+位点中，Ca²+与5个O²-原子配位，形成畸变的CaO₅四方锥，该多面体与1个CaO₅三角双锥共享1个顶点，并与1个BiO₄三角锥共享1条棱。Ca-O键的键长分布范围为2.32~2.44 Å。
在第5个Ca²+位点中，Ca²+采用5配位几何构型与5个O²-原子配位。Ca-O键的键长分布范围为2.20~2.60 Å。
在第6个Ca²+位点中，Ca²+与6个O²-原子配位，形成畸变的CaO₆八面体，该多面体与1个CaO₅三角双锥共享1个顶点，与1个BiO₄三角锥共享1个顶点，与1个CaO₅三角双锥共享1条棱，并与1个CaO₆八面体共享1个面。Ca-O键的键长分布范围为2.25~2.73 Å。
在第7个Ca²+位点中，Ca²+与5个O²-原子配位，形成畸变的CaO₅三角双锥，该多面体与1个CaO₆八面体、1个CaO₆五方锥、1个CaO₅三角双锥及1个CaO₄三角锥各共享1个顶点。共享顶点的八面体倾斜角为82°。Ca-O键的键长分布范围为2.23~2.52 Å。
在第8个Ca²+位点中，Ca²+采用6配位几何构型与6个O²-原子配位。Ca-O键的键长分布范围为2.30~2.50 Å。
在第9个Ca²+位点中，Ca²+采用6配位几何构型与6个O²-原子配位。Ca-O键的键长分布范围为2.36~2.94 Å。
在第10个Ca²+位点中，Ca²+采用5配位几何构型与5个O²-原子配位。Ca-O键的键长分布范围为2.17~2.47 Å。
在第11个Ca²+位点中，Ca²+采用6配位几何构型与6个O²-原子配位。Ca-O键的键长分布范围为2.13~2.47 Å。
在第12个Ca²+位点中，Ca²+采用5配位几何构型与5个O²-原子配位。Ca-O键的键长分布范围为2.26~2.40 Å。
在第13个Ca²+位点中，Ca²+与6个O²-原子配位，形成畸变的CaO₆八面体，该多面体与1个CaO₅三角双锥共享1个顶点，与1个BiO₄三角锥共享1个顶点，与1个BiO₄三角锥共享1条棱，并与1个CaO₆八面体共享1个面。Ca-O键的键长分布范围为2.30~2.59 Å。
在第14个Ca²+位点中，Ca²+采用5配位几何构型与7个O²-原子配位。Ca-O键的键长分布范围为2.33~3.05 Å。
在第15个Ca²+位点中，Ca²+与5个O²-原子配位，形成畸变的共享顶点的CaO₅三角双锥。Ca-O键的键长分布范围为2.25~2.44 Å。
在第16个Ca²+位点中，Ca²+采用7配位几何构型与7个O²-原子配位。Ca-O键的键长分布范围为2.33~2.63 Å。
在第17个Ca²+位点中，Ca²+采用4配位几何构型与5个O²-原子配位。Ca-O键的键长分布范围为2.27~2.84 Å。
在第18个Ca²+位点中，Ca²+与5个O²-原子配位，形成畸变的CaO₅三角双锥，该多面体与1个CaO₆八面体、1个BiO₅四方锥、1个CaO₅三角双锥、1个CaO₄三角锥各共享1个顶点，并与1个BiO₄三角锥共享1条棱。共享顶点的八面体倾斜角为23°。Ca-O键的键长分布范围为2.27~2.42 Å。
在第19个Ca²+位点中，Ca²+与6个O²-原子配位，形成畸变的CaO₆五方锥，该多面体与1个CaO₅三角双锥、1个CaO₄三角锥、1个BiO₄三角锥各共享1个顶点，与1个BiO₅四方锥、1个CaO₅三角双锥各共享1条棱。Ca-O键的键长分布范围为2.40~2.52 Å。
在第20个Ca²+位点中，Ca²+采用6配位几何构型与6个O²-原子配位。Ca-O键的键长分布范围为2.21~2.74 Å。
在第21个Ca²+位点中，Ca²+采用5配位几何构型与5个O²-原子配位。Ca-O键的键长分布范围为2.26~2.67 Å。
在第22个Ca²+位点中，Ca²+采用5配位几何构型与5个O²-原子配位。Ca-O键的键长分布范围为2.23~2.85 Å。
在第23个Ca²+位点中，Ca²+与5个O²-原子配位，形成畸变的CaO₅三角双锥，该多面体与1个BiO₅四方锥共享1个顶点，与2个CaO₅三角双锥共享顶点，与1个CaO₄三角锥共享1个顶点，与1个CaO₆八面体、1个CaO₆五方锥各共享1条棱。Ca-O键的键长分布范围为2.22~2.40 Å。
在第24个Ca²+位点中，Ca²+采用6配位几何构型与6个O²-原子配位。Ca-O键的键长分布范围为2.20~2.45 Å。
该体系存在36个不等价的Bi².83+位点。
在第1个Bi².83+位点中，Bi².83+采用畸变的T形配位几何构型与3个O²-原子配位。Bi-O键的键长分布范围为2.06~2.19 Å。
在第2个Bi².83+位点中，Bi².83+采用L形配位几何构型与2个O²-原子配位，存在1条较短（2.11 Å）和1条较长（2.17 Å）的Bi-O键。
在第3个Bi².83+位点中，Bi².83+采用L形配位几何构型与2个O²-原子配位，存在1条较短（2.20 Å）和1条较长（2.25 Å）的Bi-O键。
在第4个Bi².83+位点中，Bi².83+采用矩形跷跷板型配位几何构型与4个O²-原子配位。Bi-O键的键长分布范围为2.12~2.30 Å。
在第5个Bi².83+位点中，Bi².83+采用矩形跷跷板型配位几何构型与4个O²-原子配位。Bi-O键的键长分布范围为2.12~2.74 Å。
在第6个Bi².83+位点中，Bi².83+与4个O²-原子配位，形成畸变的共享顶点的BiO₄三角锥。Bi-O键的键长分布范围为2.07~2.65 Å。
在第7个Bi².83+位点中，Bi².83+采用3配位几何构型与3个O²-原子配位。Bi-O键的键长分布范围为2.12~2.25 Å。
在第8个Bi².83+位点中，Bi².83+采用畸变的跷跷板型配位几何构型与4个O²-原子配位。Bi-O键的键长分布范围为2.16~2.56 Å。
在第9个Bi².83+位点中，Bi².83+采用6配位几何构型与6个O²-原子配位。Bi-O键的键长分布范围为2.10~2.89 Å。
在第10个Bi².83+位点中，Bi².83+采用畸变的类水配位几何构型与2个O²-原子配位，存在1条较短（2.20 Å）和1条较长（2.25 Å）的Bi-O键。
在第11个Bi².83+位点中，Bi².83+与4个O²-原子配位，形成畸变的BiO₄三角锥，该多面体与1个CaO₅三角双锥共享1个顶点。Bi-O键的键长分布范围为2.12~2.80 Å。
在第12个Bi².83+位点中，Bi².83+采用畸变的矩形跷跷板型配位几何构型与4个O²-原子配位。Bi-O键的键长分布范围为2.13~2.46 Å。
在第13个Bi².83+位点中，Bi².83+采用畸变的矩形跷跷板型配位几何构型与4个O²-原子配位。Bi-O键的键长分布范围为2.11~2.81 Å。
在第14个Bi².83+位点中，Bi².83+与4个O²-原子配位，形成畸变的BiO₄三角锥，该多面体与2个CaO₆八面体共享顶点。共享顶点的八面体倾斜角范围为42~72°。Bi-O键的键长分布范围为2.12~2.41 Å。
在第15个Bi².83+位点中，Bi².83+采用3配位几何构型与3个O²-原子配位。Bi-O键的键长分布范围为2.16~2.22 Å。
在第16个Bi².83+位点中，Bi².83+采用矩形跷跷板型配位几何构型与4个O²-原子配位。Bi-O键的键长分布范围为2.13~2.44 Å。
在第17个Bi².83+位点中，Bi².83+采用5配位几何构型与5个O²-原子配位。Bi-O键的键长分布范围为2.21~2.75 Å。
在第18个Bi².83+位点中，Bi².83+采用矩形跷跷板型配位几何构型与4个O²-原子配位。Bi-O键的键长分布范围为2.11~2.52 Å。
在第19个Bi².83+位点中，Bi².83+采用6配位几何构型与6个O²-原子配位。Bi-O键的键长分布范围为2.15~2.75 Å。
在第20个Bi².83+位点中，Bi².83+采用畸变的矩形跷跷板型配位几何构型与4个O²-原子配位。Bi-O键的键长分布范围为2.12~2.40 Å。
在第21个Bi².83+位点中，Bi².83+采用T形配位几何构型与3个O²-原子配位。Bi-O键的键长分布范围为2.11~2.64 Å。
在第22个Bi².83+位点中，Bi².83+采用5配位几何构型与5个O²-原子配位。Bi-O键的键长分布范围为2.16~2.72 Å。
在第23个Bi².83+位点中，Bi².83+采用畸变的五方平面配位几何构型与5个O²-原子配位。Bi-O键的键长分布范围为2.14~2.72 Å。
在第24个Bi².83+位点中，Bi².83+与4个O²-原子配位，形成畸变的BiO₄三角锥，该多面体与1个CaO₆五方锥共享1个顶点，与1个CaO₆八面体、1个CaO₅三角双锥各共享1条棱。Bi-O键的键长分布范围为2.11~2.80 Å。
在第25个Bi².83+位点中，Bi².83+与4个O²-原子配位，形成畸变的BiO₄三角锥，该多面体与1个CaO₅三角双锥共享1个顶点，并与1个CaO₅四方锥共享1条棱。Bi-O键的键长分布范围为2.07~2.88 Å。
在第26个Bi².83+位点中，Bi².83+采用畸变的T形配位几何构型与3个O²-原子配位。Bi-O键的键长分布范围为2.12~2.15 Å。
在第27个Bi².83+位点中，Bi².83+采用矩形跷跷板型配位几何构型与4个O²-原子配位。Bi-O键的键长分布范围为2.12~2.40 Å。
在第28个Bi².83+位点中，Bi².83+采用畸变的T形配位几何构型与3个O²-原子配位。Bi-O键的键长分布范围为2.13~2.53 Å。
在第29个Bi².83+位点中，Bi².83+采用畸变的跷跷板型配位几何构型与4个O²-原子配位。Bi-O键的键长分布范围为2.12~2.46 Å。
在第30个Bi².83+位点中，Bi².83+采用畸变的T形配位几何构型与3个O²-原子配位。Bi-O键的键长分布范围为2.13~2.23 Å。
在第31个Bi².83+位点中，Bi².83+与5个O²-原子配位，形成畸变的BiO₅四方锥，该多面体与2个CaO₅三角双锥共享顶点，与1个BiO₄三角锥共享1个顶点，与1个CaO₆五方锥、1个CaO₄三角锥各共享1条棱。Bi-O键的键长分布范围为