Materials Data on Sr6Ca2Co5Cu3O20 by Materials Project

Sr6Ca2Co5Cu3O20 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are twenty-four inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 1-coordinate geometry to four O2- atoms. There are a spread of Sr–O bond distances ranging from 1.86–2.71 Å. In the second Sr2+ site, Sr2+ is bonded in a 2-coordinate geometry to four O2- atoms. There are a spread of Sr–O bond distances ranging from 1.89–2.83 Å. In the third Sr2+ site, Sr2+ is bonded in a 1-coordinate geometry to four O2- atoms. There are a spread of Sr–O bond distances ranging from 1.84–2.92 Å. In the fourth Sr2+ site, Sr2+ is bonded in a 2-coordinate geometry to four O2- atoms. There are a spread of Sr–O bond distances ranging from 1.91–2.63 Å. In the fifth Sr2+ site, Sr2+ is bonded in a distorted single-bond geometry to four O2- atoms. There are a spread of Sr–O bond distances ranging from 1.84–2.74 Å. In the sixth Sr2+ site, Sr2+ is bonded in a 1-coordinate geometry to four O2- atoms. There are a spread of Sr–O bond distances ranging from 1.94–2.85 Å. In the seventh Sr2+ site, Sr2+ is bonded in a distorted single-bond geometry to five O2- atoms. There are a spread of Sr–O bond distances ranging from 1.84–2.92 Å. In the eighth Sr2+ site, Sr2+ is bonded in a distorted single-bond geometry to four O2- atoms. There are a spread of Sr–O bond distances ranging from 1.85–2.69 Å. In the ninth Sr2+ site, Sr2+ is bonded in a 1-coordinate geometry to five O2- atoms. There are a spread of Sr–O bond distances ranging from 2.00–2.77 Å. In the tenth Sr2+ site, Sr2+ is bonded in a 1-coordinate geometry to three O2- atoms. There are a spread of Sr–O bond distances ranging from 1.86–2.69 Å. In the eleventh Sr2+ site, Sr2+ is bonded in a 1-coordinate geometry to four O2- atoms. There are a spread of Sr–O bond distances ranging from 1.91–2.80 Å. In the twelfth Sr2+ site, Sr2+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of Sr–O bond distances ranging from 1.67–2.32 Å. In the thirteenth Sr2+ site, Sr2+ is bonded in a 1-coordinate geometry to three O2- atoms. There are a spread of Sr–O bond distances ranging from 1.74–2.39 Å. In the fourteenth Sr2+ site, Sr2+ is bonded in a 1-coordinate geometry to four O2- atoms. There are a spread of Sr–O bond distances ranging from 1.76–3.00 Å. In the fifteenth Sr2+ site, Sr2+ is bonded in a 1-coordinate geometry to four O2- atoms. There are a spread of Sr–O bond distances ranging from 1.71–3.17 Å. In the sixteenth Sr2+ site, Sr2+ is bonded in a 1-coordinate geometry to three O2- atoms. There are a spread of Sr–O bond distances ranging from 1.69–2.49 Å. In the seventeenth Sr2+ site, Sr2+ is bonded in a 1-coordinate geometry to three O2- atoms. There are a spread of Sr–O bond distances ranging from 1.75–2.46 Å. In the eighteenth Sr2+ site, Sr2+ is bonded in a 1-coordinate geometry to three O2- atoms. There are a spread of Sr–O bond distances ranging from 1.75–2.49 Å. In the nineteenth Sr2+ site, Sr2+ is bonded in a 1-coordinate geometry to four O2- atoms. There are a spread of Sr–O bond distances ranging from 1.71–2.92 Å. In the twentieth Sr2+ site, Sr2+ is bonded in a 1-coordinate geometry to four O2- atoms. There are a spread of Sr–O bond distances ranging from 1.74–3.08 Å. In the twenty-first Sr2+ site, Sr2+ is bonded in a 1-coordinate geometry to four O2- atoms. There are a spread of Sr–O bond distances ranging from 1.75–2.90 Å. In the twenty-second Sr2+ site, Sr2+ is bonded in a 1-coordinate geometry to three O2- atoms. There are a spread of Sr–O bond distances ranging from 1.79–2.53 Å. In the twenty-third Sr2+ site, Sr2+ is bonded in a 1-coordinate geometry to four O2- atoms. There are a spread of Sr–O bond distances ranging from 1.74–2.90 Å. In the twenty-fourth Sr2+ site, Sr2+ is bonded in a 1-coordinate geometry to three O2- atoms. There are a spread of Sr–O bond distances ranging from 1.73–2.45 Å. There are eight inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded in a 1-coordinate geometry to four O2- atoms. There are a spread of Ca–O bond distances ranging from 1.77–2.88 Å. In the second Ca2+ site, Ca2+ is bonded in a 1-coordinate geometry to four O2- atoms. There are a spread of Ca–O bond distances ranging from 1.74–2.68 Å. In the third Ca2+ site, Ca2+ is bonded in a 1-coordinate geometry to three O2- atoms. There are a spread of Ca–O bond distances ranging from 1.77–2.34 Å. In the fourth Ca2+ site, Ca2+ is bonded in a 1-coordinate geometry to three O2- atoms. There are a spread of Ca–O bond distances ranging from 1.78–2.29 Å. In the fifth Ca2+ site, Ca2+ is bonded in a 1-coordinate geometry to four O2- atoms. There are a spread of Ca–O bond distances ranging from 1.82–2.80 Å. In the sixth Ca2+ site, Ca2+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of Ca–O bond distances ranging from 1.61–2.28 Å. In the seventh Ca2+ site, Ca2+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of Ca–O bond distances ranging from 1.60–2.26 Å. In the eighth Ca2+ site, Ca2+ is bonded in a 2-coordinate geometry to four O2- atoms. There are a spread of Ca–O bond distances ranging from 1.68–2.93 Å. There are twenty inequivalent Co+3.60+ sites. In the first Co+3.60+ site, Co+3.60+ is bonded in a square co-planar geometry to four O2- atoms. There are a spread of Co–O bond distances ranging from 1.84–1.90 Å. In the second Co+3.60+ site, Co+3.60+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Co–O bond distances ranging from 1.94–2.01 Å. In the third Co+3.60+ site, Co+3.60+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Co–O bond distances ranging from 1.82–1.90 Å. In the fourth Co+3.60+ site, Co+3.60+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Co–O bond distances ranging from 1.83–1.96 Å. In the fifth Co+3.60+ site, Co+3.60+ is bonded in a square co-planar geometry to four O2- atoms. There are a spread of Co–O bond distances ranging from 1.90–1.97 Å. In the sixth Co+3.60+ site, Co+3.60+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Co–O bond distances ranging from 1.88–1.94 Å. In the seventh Co+3.60+ site, Co+3.60+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Co–O bond distances ranging from 1.84–1.96 Å. In the eighth Co+3.60+ site, Co+3.60+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Co–O bond distances ranging from 1.94–2.00 Å. In the ninth Co+3.60+ site, Co+3.60+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Co–O bond distances ranging from 1.98–2.11 Å. In the tenth Co+3.60+ site, Co+3.60+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Co–O bond distances ranging from 1.78–2.10 Å. In the eleventh Co+3.60+ site, Co+3.60+ is bonded in a distorted square co-planar geometry to four O2- atoms. There are a spread of Co–O bond distances ranging from 1.88–2.12 Å. In the twelfth Co+3.60+ site, Co+3.60+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Co–O bond distances ranging from 1.81–2.02 Å. In the thirteenth Co+3.60+ site, Co+3.60+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Co–O bond distances ranging from 1.91–2.09 Å. In the fourteenth Co+3.60+ site, Co+3.60+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Co–O bond distances ranging from 1.89–2.00 Å. In the fifteenth Co+3.60+ site, Co+3.60+ is bonded in a distorted square co-planar geometry to four O2- atoms. There are a spread of Co–O bond distances ranging from 1.93–2.06 Å. In the sixteenth Co+3.60+ site, Co+3.60+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Co–O bond distances ranging from 1.76–2.11 Å. In the seventeenth Co+3.60+ site, Co+3.60+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Co–O bond distances ranging from 1.89–1.94 Å. In the eighteenth Co+3.60+ site, Co+3.60+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Co–O bond distances ranging from 1.86–2.02 Å. In the nineteenth Co+3.60+ site, Co+3.60+ is bonded in a 3-coordinate geometry to three O2- atoms. There is one shorter (1.80 Å) and two longer (1.95 Å) Co–O bond length. In the twentieth Co+3.60+ site, Co+3.60+ is bonded in a 2-coordinate geometry to three O2- atoms. There are a spread of Co–O bond distances ranging from 1.84–2.35 Å. There are twelve inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded in a 2-coordinate geometry to three O2- atoms. There are a spread of Cu–O bond distances ranging from 1.89–2.27 Å. In the second Cu2+ site, Cu2+ is bonded in a 2-coordinate geometry to four O2- atoms. There are a spread of Cu–O bond distances ranging from 1.78–2.88 Å. In the third Cu2+ site, Cu2+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Cu–O bond distances ranging from 1.89–2.14 Å. In the fourth Cu2+ site, Cu2+ is bonded in a 2-coordinate geometry to four O2- atoms. There are a spread of Cu–O bond distances ranging from 1.90–2.87 Å. In the fifth Cu2+ site, Cu2+ is bonded in a 2-coordinate geometry to three O2- atoms. There are a spread of Cu–O bond distances ranging from 1.84–2.28 Å. In the sixth Cu2+ site, Cu2+ is bonded in a distorted water-like geometry to two O2- atoms. There is one shorter (1.82 Å) and one longer (1.91 Å) Cu–O bond length. In the seventh Cu2+ site, Cu2+ is bonded in a distorted water-like geometry to three O2- atoms. There are a spread of Cu–O bond distances ranging from 1.90–2.69 Å. In the eighth Cu2+ site, Cu2+ is bonded in a distorted water-like geometry to four O2- atoms. There are a spread of Cu–O bond distances ranging from 1.86–2.72 Å. In the ninth Cu2+ site, Cu2+ is bonded in a distorted water-like geometry to four O2- atoms. There are a spread of Cu–O bond distances ranging from 1.83–2.72 Å. In the tenth Cu2+ site, Cu2+ is bonded in a 2-coordinate geometry to five O2- atoms. There are a spread of Cu–O bond distances ranging from 1.89–2.73 Å. In the eleventh Cu2+ site, Cu2+ is bonded in a distorted L-shaped geometry to two O2- atoms. There is one shorter (1.81 Å) and one longer (1.88 Å) Cu–O bond length. In the twelfth Cu2+ site, Cu2+ is bonded in a 2-coordinate geometry to three O2- atoms. There are a spread of Cu–O bond distances ranging from 1.87–2.63 Å. There are eighty inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two Co+3.60+ atoms. In the second O2- site, O2- is bonded in a distorted linear geometry to two Co+3.60+ and one O2- atom. The O–O bond length is 2.02 Å. In the third O2- site, O2- is bonded in a distorted linear geometry to two Co+3.60+ and one O2- atom. The O–O bond length is 2.23 Å. In the fourth O2- site, O2- is bonded in a distorted linear geometry to two Co+3.60+ and one O2- atom. The O–O bond length is 1.97 Å. In the fifth O2- site, O2- is bonded in a linear geometry to two Co+3.60+ atoms. In the sixth O2- site, O2- is bonded in a linear geometry to two Co+3.60+ and one O2- atom. The O–O bond length is 2.07 Å. In the seventh O2- site, O2- is bonded in a linear geometry to two Co+3.60+ atoms. In the eighth O2- site, O2- is bonded in a distorted linear geometry to two Co+3.60+ and one O2- atom. The O–O bond length is 2.05 Å. In the ninth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two Sr2+ and two Co+3.60+ atoms. In the tenth O2- site, O2- is bonded in a distorted square co-planar geometry to two Sr2+ and two Co+3.60+ atoms. In the eleventh O2- site, O2- is bonded in a distorted rectangular see-saw-like

Sr₆Ca₂Co₅Cu₃O₂₀晶体属于三斜晶系P1空间群，其结构为三维框架结构。体系中共存在24个不等价Sr²+位点：
在第1个Sr²+位点中，Sr²+以1配位几何构型与4个O²-原子成键，Sr-O键的键长分布范围为1.86~2.71 Å。
在第2个Sr²+位点中，Sr²+以2配位几何构型与4个O²-原子成键，Sr-O键的键长分布范围为1.89~2.83 Å。
在第3个Sr²+位点中，Sr²+以1配位几何构型与4个O²-原子成键，Sr-O键的键长分布范围为1.84~2.92 Å。
在第4个Sr²+位点中，Sr²+以2配位几何构型与4个O²-原子成键，Sr-O键的键长分布范围为1.91~2.63 Å。
在第5个Sr²+位点中，Sr²+以畸变单键几何构型与4个O²-原子成键，Sr-O键的键长分布范围为1.84~2.74 Å。
在第6个Sr²+位点中，Sr²+以1配位几何构型与4个O²-原子成键，Sr-O键的键长分布范围为1.94~2.85 Å。
在第7个Sr²+位点中，Sr²+以畸变单键几何构型与5个O²-原子成键，Sr-O键的键长分布范围为1.84~2.92 Å。
在第8个Sr²+位点中，Sr²+以畸变单键几何构型与4个O²-原子成键，Sr-O键的键长分布范围为1.85~2.69 Å。
在第9个Sr²+位点中，Sr²+以1配位几何构型与5个O²-原子成键，Sr-O键的键长分布范围为2.00~2.77 Å。
在第10个Sr²+位点中，Sr²+以1配位几何构型与3个O²-原子成键，Sr-O键的键长分布范围为1.86~2.69 Å。
在第11个Sr²+位点中，Sr²+以1配位几何构型与4个O²-原子成键，Sr-O键的键长分布范围为1.91~2.80 Å。
在第12个Sr²+位点中，Sr²+以畸变三角非共面几何构型与3个O²-原子成键，Sr-O键的键长分布范围为1.67~2.32 Å。
在第13个Sr²+位点中，Sr²+以1配位几何构型与3个O²-原子成键，Sr-O键的键长分布范围为1.74~2.39 Å。
在第14个Sr²+位点中，Sr²+以1配位几何构型与4个O²-原子成键，Sr-O键的键长分布范围为1.76~3.00 Å。
在第15个Sr²+位点中，Sr²+以1配位几何构型与4个O²-原子成键，Sr-O键的键长分布范围为1.71~3.17 Å。
在第16个Sr²+位点中，Sr²+以1配位几何构型与3个O²-原子成键，Sr-O键的键长分布范围为1.69~2.49 Å。
在第17个Sr²+位点中，Sr²+以1配位几何构型与3个O²-原子成键，Sr-O键的键长分布范围为1.75~2.46 Å。
在第18个Sr²+位点中，Sr²+以1配位几何构型与3个O²-原子成键，Sr-O键的键长分布范围为1.75~2.49 Å。
在第19个Sr²+位点中，Sr²+以1配位几何构型与4个O²-原子成键，Sr-O键的键长分布范围为1.71~2.92 Å。
在第20个Sr²+位点中，Sr²+以1配位几何构型与4个O²-原子成键，Sr-O键的键长分布范围为1.74~3.08 Å。
在第21个Sr²+位点中，Sr²+以1配位几何构型与4个O²-原子成键，Sr-O键的键长分布范围为1.75~2.90 Å。
在第22个Sr²+位点中，Sr²+以1配位几何构型与3个O²-原子成键，Sr-O键的键长分布范围为1.79~2.53 Å。
在第23个Sr²+位点中，Sr²+以1配位几何构型与4个O²-原子成键，Sr-O键的键长分布范围为1.74~2.90 Å。
在第24个Sr²+位点中，Sr²+以1配位几何构型与3个O²-原子成键，Sr-O键的键长分布范围为1.73~2.45 Å。

体系中共存在8个不等价Ca²+位点：
在第1个Ca²+位点中，Ca²+以1配位几何构型与4个O²-原子成键，Ca-O键的键长分布范围为1.77~2.88 Å。
在第2个Ca²+位点中，Ca²+以1配位几何构型与4个O²-原子成键，Ca-O键的键长分布范围为1.74~2.68 Å。
在第3个Ca²+位点中，Ca²+以1配位几何构型与3个O²-原子成键，Ca-O键的键长分布范围为1.77~2.34 Å。
在第4个Ca²+位点中，Ca²+以1配位几何构型与3个O²-原子成键，Ca-O键的键长分布范围为1.78~2.29 Å。
在第5个Ca²+位点中，Ca²+以1配位几何构型与4个O²-原子成键，Ca-O键的键长分布范围为1.82~2.80 Å。
在第6个Ca²+位点中，Ca²+以畸变三角非共面几何构型与3个O²-原子成键，Ca-O键的键长分布范围为1.61~2.28 Å。
在第7个Ca²+位点中，Ca²+以畸变三角非共面几何构型与3个O²-原子成键，Ca-O键的键长分布范围为1.60~2.26 Å。
在第8个Ca²+位点中，Ca²+以2配位几何构型与4个O²-原子成键，Ca-O键的键长分布范围为1.68~2.93 Å。

体系中共存在20个不等价Co^3.60+位点：
在第1个Co^3.60+位点中，Co^3.60+以平面正方形几何构型与4个O²-原子成键，Co-O键的键长分布范围为1.84~1.90 Å。
在第2个Co^3.60+位点中，Co^3.60+以矩形跷跷板型几何构型与4个O²-原子成键，Co-O键的键长分布范围为1.94~2.01 Å。
在第3个Co^3.60+位点中，Co^3.60+以矩形跷跷板型几何构型与4个O²-原子成键，Co-O键的键长分布范围为1.82~1.90 Å。
在第4个Co^3.60+位点中，Co^3.60+以矩形跷跷板型几何构型与4个O²-原子成键，Co-O键的键长分布范围为1.83~1.96 Å。
在第5个Co^3.60+位点中，Co^3.60+以平面正方形几何构型与4个O²-原子成键，Co-O键的键长分布范围为1.90~1.97 Å。
在第6个Co^3.60+位点中，Co^3.60+以矩形跷跷板型几何构型与4个O²-原子成键，Co-O键的键长分布范围为1.88~1.94 Å。
在第7个Co^3.60+位点中，Co^3.60+以矩形跷跷板型几何构型与4个O²-原子成键，Co-O键的键长分布范围为1.84~1.96 Å。
在第8个Co^3.60+位点中，Co^3.60+以矩形跷跷板型几何构型与4个O²-原子成键，Co-O键的键长分布范围为1.94~2.00 Å。
在第9个Co^3.60+位点中，Co^3.60+以畸变矩形跷跷板型几何构型与4个O²-原子成键，Co-O键的键长分布范围为1.98~2.11 Å。
在第10个Co^3.60+位点中，Co^3.60+以畸变矩形跷跷板型几何构型与4个O²-原子成键，Co-O键的键长分布范围为1.78~2.10 Å。
在第11个Co^3.60+位点中，Co^3.60+以畸变平面正方形几何构型与4个O²-原子成键，Co-O键的键长分布范围为1.88~2.12 Å。
在第12个Co^3.60+位点中，Co^3.60+以矩形跷跷板型几何构型与4个O²-原子成键，Co-O键的键长分布范围为1.81~2.02 Å。
在第13个Co^3.60+位点中，Co^3.60+以畸变矩形跷跷板型几何构型与4个O²-原子成键，Co-O键的键长分布范围为1.91~2.09 Å。
在第14个Co^3.60+位点中，Co^3.60+以矩形跷跷板型几何构型与4个O²-原子成键，Co-O键的键长分布范围为1.89~2.00 Å。
在第15个Co^3.60+位点中，Co^3.60+以畸变平面正方形几何构型与4个O²-原子成键，Co-O键的键长分布范围为1.93~2.06 Å。
在第16个Co^3.60+位点中，Co^3.60+以畸变矩形跷跷板型几何构型与4个O²-原子成键，Co-O键的键长分布范围为1.76~2.11 Å。
在第17个Co^3.60+位点中，Co^3.60+以3配位几何构型与3个O²-原子成键，Co-O键的键长分布范围为1.89~1.94 Å。
在第18个Co^3.60+位点中，Co^3.60+以3配位几何构型与3个O²-原子成键，Co-O键的键长分布范围为1.86~2.02 Å。
在第19个Co^3.60+位点中，Co^3.60+以3配位几何构型与3个O²-原子成键，存在1条较短的Co-O键（1.80 Å）与2条较长的Co-O键（1.95 Å）。
在第20个Co^3.60+位点中，Co^3.60+以2配位几何构型与3个O²-原子成键，Co-O键的键长分布范围为1.84~2.35 Å。

体系中共存在12个不等价Cu²+位点：
在第1个Cu²+位点中，Cu²+以2配位几何构型与3个O²-原子成键，Cu-O键的键长分布范围为1.89~2.27 Å。
在第2个Cu²+位点中，Cu²+以2配位几何构型与4个O²-原子成键，Cu-O键的键长分布范围为1.78~2.88 Å。
在第3个Cu²+位点中，Cu²+以3配位几何构型与3个O²-原子成键，Cu-O键的键长分布范围为1.89~2.14 Å。
在第4个Cu²+位点中，Cu²+以2配位几何构型与4个O²-原子成键，Cu-O键的键长分布范围为1.90~2.87 Å。
在第5个Cu²+位点中，Cu²+以2配位几何构型与3个O²-原子成键，Cu-O键的键长分布范围为1.84~2.28 Å。
在第6个Cu²+位点中，Cu²+以畸变类水几何构型与2个O²-原子成键，存在1条较短的Cu-O键（1.82 Å）与1条较长的Cu-O键（1.91 Å）。
在第7个Cu²+位点中，Cu²+以畸变类水几何构型与3个O²-原子成键，Cu-O键的键长分布范围为1.90~2.69 Å。
在第8个Cu²+位点中，Cu²+以畸变类水几何构型与4个O²-原子成键，Cu-O键的键长分布范围为1.86~2.72 Å。
在第9个Cu²+位点中，Cu²+以畸变类水几何构型与4个O²-原子成键，Cu-O键的键长分布范围为1.83~2.72 Å。
在第10个Cu²+位点中，Cu²+以2配位几何构型与5个O²-原子成键，Cu-O键的键长分布范围为1.89~2.73 Å。
在第11个Cu²+位点中，Cu²+以畸变L型几何构型与2个O²-原子成键，存在1条较短的Cu-O键（1.81 Å）与1条较长的Cu-O键（1.88 Å）。
在第12个Cu²+位点中，Cu²+以2配位几何构型与3个O²-原子成键，Cu-O键的键长分布范围为1.87~2.63 Å。

体系中共存在80个不等价O²-位点：
在第1个O²-位点中，O²-以直线型几何构型与2个Co^3.60+原子成键。
在第2个O²-位点中，O²-以畸变直线型几何构型与2个Co^3.60+原子及1个O²-原子成键，O-O键长为2.02 Å。
在第3个O²-位点中，O²-以畸变直线型几何构型与2个Co^3.60+原子及1个O²-原子成键，O-O键长为2.23 Å。
在第4个O²-位点中，O²-以畸变直线型几何构型与2个Co^3.60+原子及1个O²-原子成键，O-O键长为1.97 Å。
在第5个O²-位点中，O²-以直线型几何构型与2个Co^3.60+原子成键。
在第6个O²-位点中，O²-以直线型几何构型与2个Co^3.60+原子及1个O²-原子成键，O-O键长为2.07 Å。
在第7个O²-位点中，O²-以直线型几何构型与2个Co^3.60+原子成键。
在第8个O²-位点中，O²-以畸变直线型几何构型与2个Co^3.60+原子及1个O²-原子成键，O-O键长为2.05 Å。
在第9个O²-位点中，O²-以畸变矩形跷跷板型几何构型与2个Sr²+原子及2个Co^3.60+原子成键。
在第10个O²-位点中，O²-以畸变平面正方形几何构型与2个Sr²+原子及2个Co^3.60+原子成键。
在第11个O²-位点中，O²-以畸变矩形跷跷板型