Materials Data on Mn2CuO4 by Materials Project

CuMn2O4 is Spinel-like structured and crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are fifteen inequivalent Mn3+ sites. In the first Mn3+ site, Mn3+ is bonded to four O2- atoms to form MnO4 tetrahedra that share corners with three CuO6 octahedra and corners with nine MnO6 octahedra. The corner-sharing octahedra tilt angles range from 58–62°. There are one shorter (2.02 Å) and three longer (2.04 Å) Mn–O bond lengths. In the second Mn3+ site, Mn3+ is bonded to four O2- atoms to form MnO4 tetrahedra that share corners with three CuO6 octahedra and corners with nine MnO6 octahedra. The corner-sharing octahedra tilt angles range from 58–62°. There are one shorter (2.01 Å) and three longer (2.03 Å) Mn–O bond lengths. In the third Mn3+ site, Mn3+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with three MnO4 tetrahedra, corners with three CuO4 tetrahedra, edges with two equivalent CuO6 octahedra, and edges with four MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.98–2.06 Å. In the fourth Mn3+ site, Mn3+ is bonded to four O2- atoms to form MnO4 tetrahedra that share corners with three CuO6 octahedra and corners with nine MnO6 octahedra. The corner-sharing octahedra tilt angles range from 58–61°. There are one shorter (2.01 Å) and three longer (2.03 Å) Mn–O bond lengths. In the fifth Mn3+ site, Mn3+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with three equivalent MnO4 tetrahedra, corners with three equivalent CuO4 tetrahedra, edges with two CuO6 octahedra, and edges with four MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.98–2.10 Å. In the sixth Mn3+ site, Mn3+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with three MnO4 tetrahedra, corners with three CuO4 tetrahedra, edges with two equivalent CuO6 octahedra, and edges with four MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.98–2.05 Å. In the seventh Mn3+ site, Mn3+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with three equivalent MnO4 tetrahedra, corners with three equivalent CuO4 tetrahedra, edges with two CuO6 octahedra, and edges with four MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.98–2.10 Å. In the eighth Mn3+ site, Mn3+ is bonded to four O2- atoms to form MnO4 tetrahedra that share corners with two equivalent CuO6 octahedra and corners with ten MnO6 octahedra. The corner-sharing octahedra tilt angles range from 57–63°. There are a spread of Mn–O bond distances ranging from 2.00–2.04 Å. In the ninth Mn3+ site, Mn3+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with three MnO4 tetrahedra, corners with three CuO4 tetrahedra, edges with two equivalent CuO6 octahedra, and edges with four MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.98–2.05 Å. In the tenth Mn3+ site, Mn3+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with three equivalent MnO4 tetrahedra, corners with three equivalent CuO4 tetrahedra, edges with two CuO6 octahedra, and edges with four MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.98–2.10 Å. In the eleventh Mn3+ site, Mn3+ is bonded to six O2- atoms to form MnO6 octahedra that share a cornercorner with one MnO4 tetrahedra, corners with five CuO4 tetrahedra, and edges with six MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 2.01–2.09 Å. In the twelfth Mn3+ site, Mn3+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with three equivalent MnO4 tetrahedra, corners with three equivalent CuO4 tetrahedra, an edgeedge with one CuO6 octahedra, and edges with five MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.98–2.12 Å. In the thirteenth Mn3+ site, Mn3+ is bonded to six O2- atoms to form MnO6 octahedra that share a cornercorner with one MnO4 tetrahedra, corners with five CuO4 tetrahedra, and edges with six MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 2.00–2.07 Å. In the fourteenth Mn3+ site, Mn3+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with two equivalent MnO4 tetrahedra, corners with four CuO4 tetrahedra, edges with two equivalent CuO6 octahedra, and edges with four MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.99–2.04 Å. In the fifteenth Mn3+ site, Mn3+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six CuO4 tetrahedra, an edgeedge with one CuO6 octahedra, and edges with five MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.98–2.10 Å. There are ten inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded to four O2- atoms to form CuO4 tetrahedra that share corners with three CuO6 octahedra and corners with nine MnO6 octahedra. The corner-sharing octahedra tilt angles range from 57–61°. There are a spread of Cu–O bond distances ranging from 1.96–2.03 Å. In the second Cu2+ site, Cu2+ is bonded to four O2- atoms to form CuO4 tetrahedra that share corners with three CuO6 octahedra and corners with nine MnO6 octahedra. The corner-sharing octahedra tilt angles range from 57–62°. There are a spread of Cu–O bond distances ranging from 1.96–2.03 Å. In the third Cu2+ site, Cu2+ is bonded to six O2- atoms to form CuO6 octahedra that share corners with three MnO4 tetrahedra, corners with three CuO4 tetrahedra, and edges with six MnO6 octahedra. There are a spread of Cu–O bond distances ranging from 2.07–2.11 Å. In the fourth Cu2+ site, Cu2+ is bonded to four O2- atoms to form CuO4 tetrahedra that share corners with three CuO6 octahedra and corners with nine MnO6 octahedra. The corner-sharing octahedra tilt angles range from 57–62°. There are a spread of Cu–O bond distances ranging from 1.96–2.03 Å. In the fifth Cu2+ site, Cu2+ is bonded to six O2- atoms to form CuO6 octahedra that share corners with three MnO4 tetrahedra, corners with three CuO4 tetrahedra, and edges with six MnO6 octahedra. There are four shorter (2.07 Å) and two longer (2.11 Å) Cu–O bond lengths. In the sixth Cu2+ site, Cu2+ is bonded to four O2- atoms to form CuO4 tetrahedra that share a cornercorner with one CuO6 octahedra and corners with eleven MnO6 octahedra. The corner-sharing octahedra tilt angles range from 57–62°. There are a spread of Cu–O bond distances ranging from 2.00–2.03 Å. In the seventh Cu2+ site, Cu2+ is bonded to four O2- atoms to form CuO4 tetrahedra that share a cornercorner with one CuO6 octahedra and corners with eleven MnO6 octahedra. The corner-sharing octahedra tilt angles range from 58–62°. There are a spread of Cu–O bond distances ranging from 1.98–2.02 Å. In the eighth Cu2+ site, Cu2+ is bonded to six O2- atoms to form CuO6 octahedra that share corners with three MnO4 tetrahedra, corners with three CuO4 tetrahedra, and edges with six MnO6 octahedra. There are a spread of Cu–O bond distances ranging from 2.08–2.10 Å. In the ninth Cu2+ site, Cu2+ is bonded to four O2- atoms to form CuO4 tetrahedra that share corners with two equivalent CuO6 octahedra and corners with ten MnO6 octahedra. The corner-sharing octahedra tilt angles range from 57–62°. There are a spread of Cu–O bond distances ranging from 1.97–2.01 Å. In the tenth Cu2+ site, Cu2+ is bonded to six O2- atoms to form CuO6 octahedra that share corners with two equivalent MnO4 tetrahedra, corners with four CuO4 tetrahedra, and edges with six MnO6 octahedra. There are four shorter (2.08 Å) and two longer (2.10 Å) Cu–O bond lengths. There are thirty inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Mn3+ and one Cu2+ atom. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two Mn3+ and two Cu2+ atoms. In the third O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Mn3+ and two Cu2+ atoms. In the fourth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Mn3+ and one Cu2+ atom. In the fifth O2- site, O2- is bonded to three Mn3+ and one Cu2+ atom to form a mixture of distorted edge and corner-sharing OMn3Cu trigonal pyramids. In the sixth O2- site, O2- is bonded to three Mn3+ and one Cu2+ atom to form a mixture of distorted edge and corner-sharing OMn3Cu trigonal pyramids. In the seventh O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Mn3+ and two Cu2+ atoms. In the eighth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two Mn3+ and two Cu2+ atoms. In the ninth O2- site, O2- is bonded to four Mn3+ atoms to form a mixture of distorted edge and corner-sharing OMn4 trigonal pyramids. In the tenth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Mn3+ and one Cu2+ atom. In the eleventh O2- site, O2- is bonded to three Mn3+ and one Cu2+ atom to form a mixture of distorted edge and corner-sharing OMn3Cu trigonal pyramids. In the twelfth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Mn3+ and two Cu2+ atoms. In the thirteenth O2- site, O2- is bonded to three Mn3+ and one Cu2+ atom to form a mixture of distorted edge and corner-sharing OMn3Cu trigonal pyramids. In the fourteenth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two Mn3+ and two Cu2+ atoms. In the fifteenth O2- site, O2- is bonded to four Mn3+ atoms to form a mixture of distorted edge and corner-sharing OMn4 trigonal pyramids. In the sixteenth O2- site, O2- is bonded in a rectangular see-saw-like geometry to three Mn3+ and one Cu2+ atom. In the seventeenth O2- site, O2- is bonded to three Mn3+ and one Cu2+ atom to form a mixture of distorted edge and corner-sharing OMn3Cu trigonal pyramids. In the eighteenth O2- site, O2- is bonded to three Mn3+ and one Cu2+ atom to form a mixture of distorted edge and corner-sharing OMn3Cu trigonal pyramids. In the nineteenth O2- site, O2- is bonded to three Mn3+ and one Cu2+ atom to form a mixture of distorted edge and corner-sharing OMn3Cu trigonal pyramids. In the twentieth O2- site, O2- is bonded to three Mn3+ and one Cu2+ atom to form a mixture of distorted edge and corner-sharing OMn3Cu trigonal pyramids. In the twenty-first O2- site, O2- is bonded to four Mn3+ atoms to form a mixture of distorted edge and corner-sharing OMn4 trigonal pyramids. In the twenty-second O2- site, O2- is bonded in a rectangular see-saw-like geometry to three Mn3+ and one Cu2+ atom. In the twenty-third O2- site, O2- is bonded to three Mn3+ and one Cu2+ atom to form a mixture of distorted edge and corner-sharing OMn3Cu trigonal pyramids. In the twenty-fourth O2- site, O2- is bonded to four Mn3+ atoms to form a mixture of distorted edge and corner-sharing OMn4 trigonal pyramids. In the twenty-fifth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two Mn3+ and two Cu2+ atoms. In the twenty-sixth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Mn3+ and two Cu2+ atoms. In the twenty-seventh O2- site, O2- is bonded to three Mn3+ and one Cu2+ atom to form a mixture of distorted edge and corner-sharing OMn3Cu trigonal pyramids. In the twenty-eighth O2- site, O2- is bonded to three Mn3+ and one Cu2+ atom to form a mixture of distorted edge and corner-sharing OMn3Cu trigonal pyramids. In the twenty-ninth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Mn3+ and two Cu2+ atoms. In the thirtieth O2- site, O2- is bonded to four Mn3+ atoms to form a mixture of distorted edge and corner-sharing OMn4 trigonal pyramids.

CuMn₂O₄ 具有类尖晶石（Spinel-like）结构，结晶于单斜晶系Cm空间群（monoclinic Cm space group），其结构为三维网状结构。体系中存在15种不等价的三价锰离子（Mn³+）位点。
在第1个Mn³+位点中，Mn³+与4个O²⁻配位形成MnO₄四面体，该四面体与3个CuO₆八面体以及9个MnO₆八面体共享顶点。共顶点八面体的倾斜角范围为58°~62°，Mn-O键长存在1个较短键长（2.02 Å）与3个较长键长（2.04 Å）。
在第2个Mn³+位点中，Mn³+与4个O²⁻配位形成MnO₄四面体，该四面体与3个CuO₆八面体以及9个MnO₆八面体共享顶点。共顶点八面体的倾斜角范围为58°~62°，Mn-O键长存在1个较短键长（2.01 Å）与3个较长键长（2.03 Å）。
在第3个Mn³+位点中，Mn³+与6个O²⁻配位形成MnO₆八面体，该八面体与3个MnO₄四面体共享顶点、与3个CuO₄四面体共享顶点、与2个等价CuO₆八面体共边、与4个MnO₆八面体共边。Mn-O键长分布范围为1.98~2.06 Å。
在第4个Mn³+位点中，Mn³+与4个O²⁻配位形成MnO₄四面体，该四面体与3个CuO₆八面体以及9个MnO₆八面体共享顶点。共顶点八面体的倾斜角范围为58°~61°，Mn-O键长存在1个较短键长（2.01 Å）与3个较长键长（2.03 Å）。
在第5个Mn³+位点中，Mn³+与6个O²⁻配位形成MnO₆八面体，该八面体与3个等价MnO₄四面体共享顶点、与3个等价CuO₄四面体共享顶点、与2个CuO₆八面体共边、与4个MnO₆八面体共边。Mn-O键长分布范围为1.98~2.10 Å。
在第6个Mn³+位点中，Mn³+与6个O²⁻配位形成MnO₆八面体，该八面体与3个MnO₄四面体共享顶点、与3个CuO₄四面体共享顶点、与2个等价CuO₆八面体共边、与4个MnO₆八面体共边。Mn-O键长分布范围为1.98~2.05 Å。
在第7个Mn³+位点中，Mn³+与6个O²⁻配位形成MnO₆八面体，该八面体与3个等价MnO₄四面体共享顶点、与3个等价CuO₄四面体共享顶点、与2个CuO₆八面体共边、与4个MnO₆八面体共边。Mn-O键长分布范围为1.98~2.10 Å。
在第8个Mn³+位点中，Mn³+与4个O²⁻配位形成MnO₄四面体，该四面体与2个等价CuO₆八面体以及10个MnO₆八面体共享顶点。共顶点八面体的倾斜角范围为57°~63°，Mn-O键长分布范围为2.00~2.04 Å。
在第9个Mn³+位点中，Mn³+与6个O²⁻配位形成MnO₆八面体，该八面体与3个MnO₄四面体共享顶点、与3个CuO₄四面体共享顶点、与2个等价CuO₆八面体共边、与4个MnO₆八面体共边。Mn-O键长分布范围为1.98~2.05 Å。
在第10个Mn³+位点中，Mn³+与6个O²⁻配位形成MnO₆八面体，该八面体与3个等价MnO₄四面体共享顶点、与3个等价CuO₄四面体共享顶点、与2个CuO₆八面体共边、与4个MnO₆八面体共边。Mn-O键长分布范围为1.98~2.10 Å。
在第11个Mn³+位点中，Mn³+与6个O²⁻配位形成MnO₆八面体，该八面体与1个MnO₄四面体共享顶点、与5个CuO₄四面体共享顶点、与6个MnO₆八面体共边。Mn-O键长分布范围为2.01~2.09 Å。
在第12个Mn³+位点中，Mn³+与6个O²⁻配位形成MnO₆八面体，该八面体与3个等价MnO₄四面体共享顶点、与3个等价CuO₄四面体共享顶点、与1个CuO₆八面体共边、与5个MnO₆八面体共边。Mn-O键长分布范围为1.98~2.12 Å。
在第13个Mn³+位点中，Mn³+与6个O²⁻配位形成MnO₆八面体，该八面体与1个MnO₄四面体共享顶点、与5个CuO₄四面体共享顶点、与6个MnO₆八面体共边。Mn-O键长分布范围为2.00~2.07 Å。
在第14个Mn³+位点中，Mn³+与6个O²⁻配位形成MnO₆八面体，该八面体与2个等价MnO₄四面体共享顶点、与4个CuO₄四面体共享顶点、与2个等价CuO₆八面体共边、与4个MnO₆八面体共边。Mn-O键长分布范围为1.99~2.04 Å。
在第15个Mn³+位点中，Mn³+与6个O²⁻配位形成MnO₆八面体，该八面体与6个CuO₄四面体共享顶点、与1个CuO₆八面体共边、与5个MnO₆八面体共边。Mn-O键长分布范围为1.98~2.10 Å。
体系中存在10种不等价的二价铜离子（Cu²+）位点。
在第1个Cu²+位点中，Cu²+与4个O²⁻配位形成CuO₄四面体，该四面体与3个CuO₆八面体以及9个MnO₆八面体共享顶点。共顶点八面体的倾斜角范围为57°~61°，Cu-O键长分布范围为1.96~2.03 Å。
在第2个Cu²+位点中，Cu²+与4个O²⁻配位形成CuO₄四面体，该四面体与3个CuO₆八面体以及9个MnO₆八面体共享顶点。共顶点八面体的倾斜角范围为57°~62°，Cu-O键长分布范围为1.96~2.03 Å。
在第3个Cu²+位点中，Cu²+与6个O²⁻配位形成CuO₆八面体，该八面体与3个MnO₄四面体共享顶点、与3个CuO₄四面体共享顶点、与6个MnO₆八面体共边。Cu-O键长分布范围为2.07~2.11 Å。
在第4个Cu²+位点中，Cu²+与4个O²⁻配位形成CuO₄四面体，该四面体与3个CuO₆八面体以及9个MnO₆八面体共享顶点。共顶点八面体的倾斜角范围为57°~62°，Cu-O键长分布范围为1.96~2.03 Å。
在第5个Cu²+位点中，Cu²+与6个O²⁻配位形成CuO₆八面体，该八面体与3个MnO₄四面体共享顶点、与3个CuO₄四面体共享顶点、与6个MnO₆八面体共边。Cu-O键长存在4个较短键长（2.07 Å）与2个较长键长（2.11 Å）。
在第6个Cu²+位点中，Cu²+与4个O²⁻配位形成CuO₄四面体，该四面体与1个CuO₆八面体共享顶点、与11个MnO₆八面体共享顶点。共顶点八面体的倾斜角范围为57°~62°，Cu-O键长分布范围为2.00~2.03 Å。
在第7个Cu²+位点中，Cu²+与4个O²⁻配位形成CuO₄四面体，该四面体与1个CuO₆八面体共享顶点、与11个MnO₆八面体共享顶点。共顶点八面体的倾斜角范围为58°~62°，Cu-O键长分布范围为1.98~2.02 Å。
在第8个Cu²+位点中，Cu²+与6个O²⁻配位形成CuO₆八面体，该八面体与3个MnO₄四面体共享顶点、与3个CuO₄四面体共享顶点、与6个MnO₆八面体共边。Cu-O键长分布范围为2.08~2.10 Å。
在第9个Cu²+位点中，Cu²+与4个O²⁻配位形成CuO₄四面体，该四面体与2个等价CuO₆八面体以及10个MnO₆八面体共享顶点。共顶点八面体的倾斜角范围为57°~62°，Cu-O键长分布范围为1.97~2.01 Å。
在第10个Cu²+位点中，Cu²+与6个O²⁻配位形成CuO₆八面体，该八面体与2个等价MnO₄四面体共享顶点、与4个CuO₄四面体共享顶点、与6个MnO₆八面体共边。Cu-O键长存在4个较短键长（2.08 Å）与2个较长键长（2.10 Å）。
体系中存在30种不等价的O²⁻位点。
在第1个O²⁻位点中，O²⁻采取畸变矩形跷跷板配位几何，与3个Mn³+和1个Cu²+配位。
在第2个O²⁻位点中，O²⁻采取畸变矩形跷跷板配位几何，与2个Mn³+和2个Cu²+配位。
在第3个O²⁻位点中，O²⁻采取畸变矩形跷跷板配位几何，与2个等价Mn³+和2个Cu²+配位。
在第4个O²⁻位点中，O²⁻采取畸变矩形跷跷板配位几何，与3个Mn³+和1个Cu²+配位。
在第5个O²⁻位点中，O²⁻与3个Mn³+和1个Cu²+配位，形成兼具畸变共边与共顶点特征的OMn₃Cu三角锥多面体。
在第6个O²⁻位点中，O²⁻与3个Mn³+和1个Cu²+配位，形成兼具畸变共边与共顶点特征的OMn₃Cu三角锥多面体。
在第7个O²⁻位点中，O²⁻采取畸变矩形跷跷板配位几何，与2个等价Mn³+和2个Cu²+配位。
在第8个O²⁻位点中，O²⁻采取畸变矩形跷跷板配位几何，与2个Mn³+和2个Cu²+配位。
在第9个O²⁻位点中，O²⁻与4个Mn³+配位，形成兼具畸变共边与共顶点特征的OMn₄三角锥多面体。
在第10个O²⁻位点中，O²⁻采取畸变矩形跷跷板配位几何，与3个Mn³+和1个Cu²+配位。
在第11个O²⁻位点中，O²⁻与3个Mn³+和1个Cu²+配位，形成兼具畸变共边与共顶点特征的OMn₃Cu三角锥多面体。
在第12个O²⁻位点中，O²⁻采取畸变矩形跷跷板配位几何，与2个等价Mn³+和2个Cu²+配位。
在第13个O²⁻位点中，O²⁻与3个Mn³+和1个Cu²+配位，形成兼具畸变共边与共顶点特征的OMn₃Cu三角锥多面体。
在第14个O²⁻位点中，O²⁻采取畸变矩形跷跷板配位几何，与2个Mn³+和2个Cu²+配位。
在第15个O²⁻位点中，O²⁻与4个Mn³+配位，形成兼具畸变共边与共顶点特征的OMn₄三角锥多面体。
在第16个O²⁻位点中，O²⁻采取矩形跷跷板配位几何，与3个Mn³+和1个Cu²+配位。
在第17个O²⁻位点中，O²⁻与3个Mn³+和1个Cu²+配位，形成兼具畸变共边与共顶点特征的OMn₃Cu三角锥多面体。
在第18个O²⁻位点中，O²⁻与3个Mn³+和1个Cu²+配位，形成兼具畸变共边与共顶点特征的OMn₃Cu三角锥多面体。
在第19个O²⁻位点中，O²⁻与3个Mn³+和1个Cu²+配位，形成兼具畸变共边与共顶点特征的OMn₃Cu三角锥多面体。
在第20个O²⁻位点中，O²⁻与3个Mn³+和1个Cu²+配位，形成兼具畸变共边与共顶点特征的OMn₃Cu三角锥多面体。
在第21个O²⁻位点中，O²⁻与4个Mn³+配位，形成兼具畸变共边与共顶点特征的OMn₄三角锥多面体。
在第22个O²⁻位点中，O²⁻采取矩形跷跷板配位几何，与3个Mn³+和1个Cu²+配位。
在第23个O²⁻位点中，O²⁻与3个Mn³+和1个Cu²+配位，形成兼具畸变共边与共顶点特征的OMn₃Cu三角锥多面体。
在第24个O²⁻位点中，O²⁻与4个Mn³+配位，形成兼具畸变共边与共顶点特征的OMn₄三角锥多面体。
在第25个O²⁻位点中，O²⁻采取畸变矩形跷跷板配位几何，与2个Mn³+和2个Cu²+配位。
在第26个O²⁻位点中，O²⁻采取畸变矩形跷跷板配位几何，与2个等价Mn³+和2个Cu²+配位。
在第27个O²⁻位点中，O²⁻与3个Mn³+和1个Cu²+配位，形成兼具畸变共边与共顶点特征的OMn₃Cu三角锥多面体。
在第28个O²⁻位点中，O²⁻与3个Mn³+和1个Cu²+配位，形成兼具畸变共边与共顶点特征的OMn₃Cu三角锥多面体。
在第29个O²⁻位点中，O²⁻采取畸变矩形跷跷板配位几何，与2个等价Mn³+和2个Cu²+配位。
在第30个O²⁻位点中，O²⁻与4个Mn³+配位，形成兼具畸变共边与共顶点特征的OMn₄三角锥多面体。