Materials Data on K2HoSbO7 by Materials Project

K2HoSbO7 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded to eight O atoms to form KO8 hexagonal bipyramids that share corners with two equivalent KO8 hexagonal bipyramids, corners with two equivalent SbO6 octahedra, edges with four equivalent KO8 hexagonal bipyramids, edges with two equivalent SbO6 octahedra, and edges with four equivalent HoO6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are a spread of K–O bond distances ranging from 2.63–3.07 Å. In the second K site, K is bonded to eight O atoms to form distorted KO8 hexagonal bipyramids that share edges with six KO8 hexagonal bipyramids, edges with two equivalent HoO6 octahedra, and edges with four equivalent SbO6 octahedra. There are a spread of K–O bond distances ranging from 2.78–3.14 Å. Ho is bonded to six O atoms to form HoO6 octahedra that share corners with two equivalent HoO6 octahedra, corners with four equivalent SbO6 octahedra, and edges with six KO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 35–50°. There are a spread of Ho–O bond distances ranging from 2.23–2.26 Å. Sb is bonded to six O atoms to form SbO6 octahedra that share corners with two equivalent KO8 hexagonal bipyramids, corners with four equivalent HoO6 octahedra, and edges with six KO8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 35°. There is two shorter (1.96 Å) and four longer (2.00 Å) Sb–O bond length. There are six inequivalent O sites. In the first O site, O is bonded in a distorted rectangular see-saw-like geometry to three K and one Sb atom. In the second O site, O is bonded in a 2-coordinate geometry to two K, one Ho, and one Sb atom. In the third O site, O is bonded in a 2-coordinate geometry to two K, one Ho, and one Sb atom. In the fourth O site, O is bonded in a 2-coordinate geometry to two equivalent K and two equivalent Ho atoms. In the fifth O site, O is bonded in a distorted rectangular see-saw-like geometry to three K and one Sb atom. In the sixth O site, O is bonded in a 2-coordinate geometry to two equivalent K and two equivalent Ho atoms.

K₂HoSbO₇结晶于正交晶系（orthorhombic）的Imm2空间群，其晶体结构为三维网状结构，存在两类不等价的钾（K）位点。
在第一类钾位点中，钾原子与8个氧原子配位形成KO₈六方双锥结构单元；该单元可与2个等价的KO₈六方双锥共角、2个等价的SbO₆八面体共角，同时与4个等价的KO₈六方双锥共边、2个等价的SbO₆八面体共边，以及4个等价的HoO₆八面体共边。共角八面体的倾斜角为51°，K-O键的键长分布范围为2.63~3.07 Å。
在第二类钾位点中，钾原子与8个氧原子配位形成畸变型KO₈六方双锥结构单元；该单元可与6个KO₈六方双锥共边、2个等价的HoO₆八面体共边，以及4个等价的SbO₆八面体共边，K-O键的键长分布范围为2.78~3.14 Å。
钬（Ho）原子与6个氧原子配位形成HoO₆八面体结构单元；该八面体可与2个等价的HoO₆八面体共角、4个等价的SbO₆八面体共角，同时与6个KO₈六方双锥共边。共角八面体的倾斜角范围为35°~50°，Ho-O键的键长分布范围为2.23~2.26 Å。
锑（Sb）原子与6个氧原子配位形成SbO₆八面体结构单元；该八面体可与2个等价的KO₈六方双锥共角、4个等价的HoO₆八面体共角，同时与6个KO₈六方双锥共边。共角八面体的倾斜角为35°，Sb-O键存在两种键长：2个较短的键长（1.96 Å）与4个较长的键长（2.00 Å）。
该晶体存在6类不等价的氧（O）位点：
第一类氧位点中，氧原子以类矩形跷跷板配位几何与3个钾原子及1个锑原子配位；
第二类氧位点中，氧原子以二配位几何与2个钾原子、1个钬原子及1个锑原子配位；
第三类氧位点中，氧原子以二配位几何与2个钾原子、1个钬原子及1个锑原子配位；
第四类氧位点中，氧原子以二配位几何与2个等价的钾原子及2个等价的钬原子配位；
第五类氧位点中，氧原子以类矩形跷跷板配位几何与3个钾原子及1个锑原子配位；
第六类氧位点中，氧原子以二配位几何与2个等价的钾原子及2个等价的钬原子配位。