Materials Data on Zn(SbO2)2 by Materials Project

Zn(SbO2)2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are six inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded in a distorted T-shaped geometry to three O2- atoms. There is two shorter (1.93 Å) and one longer (1.94 Å) Zn–O bond length. In the second Zn2+ site, Zn2+ is bonded in a distorted trigonal pyramidal geometry to four O2- atoms. There are a spread of Zn–O bond distances ranging from 1.95–2.06 Å. In the third Zn2+ site, Zn2+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Zn–O bond distances ranging from 1.89–2.16 Å. In the fourth Zn2+ site, Zn2+ is bonded in a 4-coordinate geometry to five O2- atoms. There are a spread of Zn–O bond distances ranging from 2.02–2.71 Å. In the fifth Zn2+ site, Zn2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Zn–O bond distances ranging from 1.98–2.02 Å. In the sixth Zn2+ site, Zn2+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are a spread of Zn–O bond distances ranging from 1.99–2.16 Å. There are twelve inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 1.98–2.72 Å. In the second Sb3+ site, Sb3+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Sb–O bond distances ranging from 1.98–2.01 Å. In the third Sb3+ site, Sb3+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of Sb–O bond distances ranging from 1.98–2.00 Å. In the fourth Sb3+ site, Sb3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Sb–O bond distances ranging from 2.05–2.72 Å. In the fifth Sb3+ site, Sb3+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 1.97–2.70 Å. In the sixth Sb3+ site, Sb3+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Sb–O bond distances ranging from 1.98–2.13 Å. In the seventh Sb3+ site, Sb3+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are two shorter (2.00 Å) and one longer (2.02 Å) Sb–O bond lengths. In the eighth Sb3+ site, Sb3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Sb–O bond distances ranging from 2.03–2.71 Å. In the ninth Sb3+ site, Sb3+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 2.01–2.41 Å. In the tenth Sb3+ site, Sb3+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Sb–O bond distances ranging from 1.98–2.07 Å. In the eleventh Sb3+ site, Sb3+ is bonded in a distorted T-shaped geometry to three O2- atoms. There is one shorter (1.97 Å) and two longer (2.00 Å) Sb–O bond length. In the twelfth Sb3+ site, Sb3+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Sb–O bond distances ranging from 1.96–2.01 Å. There are twenty-four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two Zn2+ and one Sb3+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Zn2+ and two Sb3+ atoms. In the third O2- site, O2- is bonded in a distorted T-shaped geometry to two Zn2+ and one Sb3+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to one Zn2+ and three Sb3+ atoms. In the fifth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Zn2+ and one Sb3+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Zn2+ and two Sb3+ atoms. In the seventh O2- site, O2- is bonded in a bent 120 degrees geometry to two Sb3+ atoms. In the eighth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Zn2+ and two Sb3+ atoms. In the ninth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Zn2+ and one Sb3+ atom. In the tenth O2- site, O2- is bonded in a trigonal non-coplanar geometry to one Zn2+ and two Sb3+ atoms. In the eleventh O2- site, O2- is bonded in a bent 120 degrees geometry to two Sb3+ atoms. In the twelfth O2- site, O2- is bonded in a bent 120 degrees geometry to two Sb3+ atoms. In the thirteenth O2- site, O2- is bonded in a 3-coordinate geometry to two Zn2+ and two Sb3+ atoms. In the fourteenth O2- site, O2- is bonded in a 2-coordinate geometry to one Zn2+ and two Sb3+ atoms. In the fifteenth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Zn2+ and one Sb3+ atom. In the sixteenth O2- site, O2- is bonded in a trigonal planar geometry to one Zn2+ and two Sb3+ atoms. In the seventeenth O2- site, O2- is bonded in a water-like geometry to two Sb3+ atoms. In the eighteenth O2- site, O2- is bonded in a 2-coordinate geometry to three Sb3+ atoms. In the nineteenth O2- site, O2- is bonded in a trigonal non-coplanar geometry to one Zn2+ and two Sb3+ atoms. In the twentieth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Zn2+ and one Sb3+ atom. In the twenty-first O2- site, O2- is bonded in a bent 150 degrees geometry to two Sb3+ atoms. In the twenty-second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Zn2+ and one Sb3+ atom. In the twenty-third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Zn2+ and two Sb3+ atoms. In the twenty-fourth O2- site, O2- is bonded in a bent 120 degrees geometry to two Sb3+ atoms.

二(亚锑酸锌)（Zn(SbO₂)₂）结晶于三斜晶系（triclinic）P1空间群（space group），其晶体结构为三维骨架结构。体系中存在6个不等价的锌(II)离子（Zn²+）配位位点：
1. 第一个Zn²+位点中，锌(II)离子以变形T型配位模式与3个氧离子（O²-）成键，Zn-O键长分别为2个较短的1.93 Å与1个较长的1.94 Å。
2. 第二个Zn²+位点中，锌(II)离子以变形三角锥配位模式与4个氧离子成键，Zn-O键距分布范围为1.95~2.06 Å。
3. 第三个Zn²+位点中，锌(II)离子以变形矩形跷跷板型配位模式与4个氧离子成键，Zn-O键距分布范围为1.89~2.16 Å。
4. 第四个Zn²+位点中，锌(II)离子以四配位模式与5个氧离子成键，Zn-O键距分布范围为2.02~2.71 Å。
5. 第五个Zn²+位点中，锌(II)离子以四配位模式与4个氧离子成键，Zn-O键距分布范围为1.98~2.02 Å。
6. 第六个Zn²+位点中，锌(II)离子以变形跷跷板型配位模式与4个氧离子成键，Zn-O键距分布范围为1.99~2.16 Å。

体系中同时存在12个不等价的锑(III)离子（Sb³+）配位位点：
1. 第一个Sb³+位点中，锑(III)离子以变形矩形跷跷板型配位模式与4个氧离子成键，Sb-O键距分布范围为1.98~2.72 Å。
2. 第二个Sb³+位点中，锑(III)离子以变形T型配位模式与3个氧离子成键，Sb-O键距分布范围为1.98~2.01 Å。
3. 第三个Sb³+位点中，锑(III)离子以变形非共面三角配位模式与3个氧离子成键，Sb-O键距分布范围为1.98~2.00 Å。
4. 第四个Sb³+位点中，锑(III)离子以五配位模式与5个氧离子成键，Sb-O键距分布范围为2.05~2.72 Å。
5. 第五个Sb³+位点中，锑(III)离子以变形矩形跷跷板型配位模式与4个氧离子成键，Sb-O键距分布范围为1.97~2.70 Å。
6. 第六个Sb³+位点中，锑(III)离子以变形T型配位模式与3个氧离子成键，Sb-O键距分布范围为1.98~2.13 Å。
7. 第七个Sb³+位点中，锑(III)离子以变形非共面三角配位模式与3个氧离子成键，Sb-O键长分别为2个较短的2.00 Å与1个较长的2.02 Å。
8. 第八个Sb³+位点中，锑(III)离子以五配位模式与5个氧离子成键，Sb-O键距分布范围为2.03~2.71 Å。
9. 第九个Sb³+位点中，锑(III)离子以变形矩形跷跷板型配位模式与4个氧离子成键，Sb-O键距分布范围为2.01~2.41 Å。
10. 第十个Sb³+位点中，锑(III)离子以三配位模式与3个氧离子成键，Sb-O键距分布范围为1.98~2.07 Å。
11. 第十一个Sb³+位点中，锑(III)离子以变形T型配位模式与3个氧离子成键，Sb-O键长分别为1个较短的1.97 Å与2个较长的2.00 Å。
12. 第十二个Sb³+位点中，锑(III)离子以变形T型配位模式与3个氧离子成键，Sb-O键距分布范围为1.96~2.01 Å。

体系中还存在24个不等价的氧离子（O²-）配位位点：
1. 第一个O²-位点中，氧离子以变形三角平面配位模式与2个Zn²+与1个Sb³+离子成键。
2. 第二个O²-位点中，氧离子以双配位模式与1个Zn²+与2个Sb³+离子成键。
3. 第三个O²-位点中，氧离子以变形T型配位模式与2个Zn²+与1个Sb³+离子成键。
4. 第四个O²-位点中，氧离子以四配位模式与1个Zn²+与3个Sb³+离子成键。
5. 第五个O²-位点中，氧离子以变形非共面三角配位模式与2个Zn²+与1个Sb³+离子成键。
6. 第六个O²-位点中，氧离子以变形非共面三角配位模式与1个Zn²+与2个Sb³+离子成键。
7. 第七个O²-位点中，氧离子以120°弯曲配位模式与2个Sb³+离子成键。
8. 第八个O²-位点中，氧离子以变形非共面三角配位模式与1个Zn²+与2个Sb³+离子成键。
9. 第九个O²-位点中，氧离子以变形非共面三角配位模式与2个Zn²+与1个Sb³+离子成键。
10. 第十个O²-位点中，氧离子以非共面三角配位模式与1个Zn²+与2个Sb³+离子成键。
11. 第十一个O²-位点中，氧离子以120°弯曲配位模式与2个Sb³+离子成键。
12. 第十二个O²-位点中，氧离子以120°弯曲配位模式与2个Sb³+离子成键。
13. 第十三个O²-位点中，氧离子以三配位模式与2个Zn²+与2个Sb³+离子成键。
14. 第十四个O²-位点中，氧离子以双配位模式与1个Zn²+与2个Sb³+离子成键。
15. 第十五个O²-位点中，氧离子以变形三角平面配位模式与2个Zn²+与1个Sb³+离子成键。
16. 第十六个O²-位点中，氧离子以三角平面配位模式与1个Zn²+与2个Sb³+离子成键。
17. 第十七个O²-位点中，氧离子以类水弯曲配位模式与2个Sb³+离子成键。
18. 第十八个O²-位点中，氧离子以双配位模式与3个Sb³+离子成键。
19. 第十九个O²-位点中，氧离子以非共面三角配位模式与1个Zn²+与2个Sb³+离子成键。
20. 第二十个O²-位点中，氧离子以变形非共面三角配位模式与2个Zn²+与1个Sb³+离子成键。
21. 第二十一个O²-位点中，氧离子以150°弯曲配位模式与2个Sb³+离子成键。
22. 第二十二个O²-位点中，氧离子以变形150°弯曲配位模式与1个Zn²+与1个Sb³+离子成键。
23. 第二十三个O²-位点中，氧离子以变形三角平面配位模式与1个Zn²+与2个Sb³+离子成键。
24. 第二十四个O²-位点中，氧离子以120°弯曲配位模式与2个Sb³+离子成键。