Materials Data on Ag3Te(AsO7)2 by Materials Project

Ag3Te(AsO7)2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are six inequivalent Ag sites. In the first Ag site, Ag is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Ag–O bond distances ranging from 2.03–2.68 Å. In the second Ag site, Ag is bonded in a see-saw-like geometry to four O atoms. There are a spread of Ag–O bond distances ranging from 2.10–2.24 Å. In the third Ag site, Ag is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Ag–O bond distances ranging from 2.03–2.69 Å. In the fourth Ag site, Ag is bonded in a see-saw-like geometry to four O atoms. There are two shorter (2.10 Å) and two longer (2.23 Å) Ag–O bond lengths. In the fifth Ag site, Ag is bonded in a distorted rectangular see-saw-like geometry to four O atoms. There are a spread of Ag–O bond distances ranging from 2.03–2.18 Å. In the sixth Ag site, Ag is bonded in a distorted rectangular see-saw-like geometry to four O atoms. There are a spread of Ag–O bond distances ranging from 2.03–2.17 Å. There are four inequivalent As sites. In the first As site, As is bonded in a tetrahedral geometry to four O atoms. There are a spread of As–O bond distances ranging from 1.70–1.80 Å. In the second As site, As is bonded in a tetrahedral geometry to four O atoms. There are a spread of As–O bond distances ranging from 1.70–1.79 Å. In the third As site, As is bonded in a tetrahedral geometry to four O atoms. There are a spread of As–O bond distances ranging from 1.70–1.80 Å. In the fourth As site, As is bonded in a tetrahedral geometry to four O atoms. There are a spread of As–O bond distances ranging from 1.70–1.80 Å. There are two inequivalent Te sites. In the first Te site, Te is bonded in a distorted octahedral geometry to six O atoms. There are a spread of Te–O bond distances ranging from 1.93–1.99 Å. In the second Te site, Te is bonded in an octahedral geometry to six O atoms. There are a spread of Te–O bond distances ranging from 1.93–1.99 Å. There are twenty-eight inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to two Ag and one As atom. In the second O site, O is bonded in a 3-coordinate geometry to two Ag and one As atom. In the third O site, O is bonded in a 3-coordinate geometry to two Ag and one As atom. In the fourth O site, O is bonded in a 3-coordinate geometry to two Ag and one As atom. In the fifth O site, O is bonded in a single-bond geometry to one Te atom. In the sixth O site, O is bonded in a distorted bent 120 degrees geometry to one Ag and one Te atom. In the seventh O site, O is bonded in a single-bond geometry to one Te atom. In the eighth O site, O is bonded in a single-bond geometry to one Te atom. In the ninth O site, O is bonded in a distorted bent 150 degrees geometry to one Ag and one Te atom. In the tenth O site, O is bonded in a distorted bent 120 degrees geometry to one Ag and one Te atom. In the eleventh O site, O is bonded in a distorted bent 150 degrees geometry to one Ag and one Te atom. In the twelfth O site, O is bonded in a single-bond geometry to one Te atom. In the thirteenth O site, O is bonded in a distorted bent 150 degrees geometry to one Ag and one Te atom. In the fourteenth O site, O is bonded in a distorted bent 150 degrees geometry to one Ag and one Te atom. In the fifteenth O site, O is bonded in a single-bond geometry to one Te atom. In the sixteenth O site, O is bonded in a single-bond geometry to one Te atom. In the seventeenth O site, O is bonded in a bent 120 degrees geometry to one Ag and one As atom. In the eighteenth O site, O is bonded in a bent 120 degrees geometry to one Ag and one As atom. In the nineteenth O site, O is bonded in a bent 120 degrees geometry to one Ag and one As atom. In the twentieth O site, O is bonded in a bent 120 degrees geometry to one Ag and one As atom. In the twenty-first O site, O is bonded in a bent 120 degrees geometry to one Ag and one As atom. In the twenty-second O site, O is bonded in a bent 120 degrees geometry to one Ag and one As atom. In the twenty-third O site, O is bonded in a bent 120 degrees geometry to one Ag and one As atom. In the twenty-fourth O site, O is bonded in a bent 120 degrees geometry to one Ag and one As atom. In the twenty-fifth O site, O is bonded in a bent 120 degrees geometry to one Ag and one As atom. In the twenty-sixth O site, O is bonded in a bent 120 degrees geometry to one Ag and one As atom. In the twenty-seventh O site, O is bonded in a bent 120 degrees geometry to one Ag and one As atom. In the twenty-eighth O site, O is bonded in a bent 120 degrees geometry to one Ag and one As atom.

Ag₃Te(AsO₇)₂晶体属于三斜晶系P1空间群，其结构为三维框架结构。晶体中存在6个不等价的银（Ag）位点。在第一个银位点中，Ag采取5配位几何构型，与5个氧（O）原子成键，Ag–O键的键长分布范围为2.03~2.68 Å。在第二个银位点中，Ag采取类跷跷板构型，与4个O原子成键，Ag–O键的键长分布范围为2.10~2.24 Å。在第三个银位点中，Ag采取5配位几何构型，与5个O原子成键，Ag–O键的键长分布范围为2.03~2.69 Å。在第四个银位点中，Ag采取类跷跷板构型，与4个O原子成键，Ag–O键键长分别为2个较短的2.10 Å与2个较长的2.23 Å。在第五个银位点中，Ag采取畸变矩形类跷跷板构型，与4个O原子成键，Ag–O键的键长分布范围为2.03~2.18 Å。在第六个银位点中，Ag采取畸变矩形类跷跷板构型，与4个O原子成键，Ag–O键的键长分布范围为2.03~2.17 Å。
晶体中存在4个不等价的砷（As）位点。在第一个砷位点中，As采取四面体几何构型，与4个O原子成键，As–O键的键长分布范围为1.70~1.80 Å。在第二个砷位点中，As采取四面体几何构型，与4个O原子成键，As–O键的键长分布范围为1.70~1.79 Å。在第三个砷位点中，As采取四面体几何构型，与4个O原子成键，As–O键的键长分布范围为1.70~1.80 Å。在第四个砷位点中，As采取四面体几何构型，与4个O原子成键，As–O键的键长分布范围为1.70~1.80 Å。
晶体中存在2个不等价的碲（Te）位点。在第一个碲位点中，Te采取畸变八面体几何构型，与6个O原子成键，Te–O键的键长分布范围为1.93~1.99 Å。在第二个碲位点中，Te采取八面体几何构型，与6个O原子成键，Te–O键的键长分布范围为1.93~1.99 Å。
晶体中存在28个不等价的氧（O）位点。在第一个氧位点中，O采取3配位几何构型，与2个Ag原子与1个As原子成键。在第二个氧位点中，O采取3配位几何构型，与2个Ag原子与1个As原子成键。在第三个氧位点中，O采取3配位几何构型，与2个Ag原子与1个As原子成键。在第四个氧位点中，O采取3配位几何构型，与2个Ag原子与1个As原子成键。在第五个氧位点中，O采取单键配位几何构型，仅与1个Te原子成键。在第六个氧位点中，O采取畸变120°弯曲几何构型，与1个Ag原子与1个Te原子成键。在第七个氧位点中，O采取单键配位几何构型，仅与1个Te原子成键。在第八个氧位点中，O采取单键配位几何构型，仅与1个Te原子成键。在第九个氧位点中，O采取畸变150°弯曲几何构型，与1个Ag原子与1个Te原子成键。在第十个氧位点中，O采取畸变120°弯曲几何构型，与1个Ag原子与1个Te原子成键。在第十一个氧位点中，O采取畸变150°弯曲几何构型，与1个Ag原子与1个Te原子成键。在第十二个氧位点中，O采取单键配位几何构型，仅与1个Te原子成键。在第十三个氧位点中，O采取畸变150°弯曲几何构型，与1个Ag原子与1个Te原子成键。在第十四个氧位点中，O采取畸变150°弯曲几何构型，与1个Ag原子与1个Te原子成键。在第十五个氧位点中，O采取单键配位几何构型，仅与1个Te原子成键。在第十六个氧位点中，O采取单键配位几何构型，仅与1个Te原子成键。在第十七个氧位点中，O采取120°弯曲几何构型，与1个Ag原子与1个As原子成键。在第十八个氧位点中，O采取120°弯曲几何构型，与1个Ag原子与1个As原子成键。在第十九个氧位点中，O采取120°弯曲几何构型，与1个Ag原子与1个As原子成键。在第二十个氧位点中，O采取120°弯曲几何构型，与1个Ag原子与1个As原子成键。在第二十一个氧位点中，O采取120°弯曲几何构型，与1个Ag原子与1个As原子成键。在第二十二个氧位点中，O采取120°弯曲几何构型，与1个Ag原子与1个As原子成键。在第二十三个氧位点中，O采取120°弯曲几何构型，与1个Ag原子与1个As原子成键。在第二十四个氧位点中，O采取120°弯曲几何构型，与1个Ag原子与1个As原子成键。在第二十五个氧位点中，O采取120°弯曲几何构型，与1个Ag原子与1个As原子成键。在第二十六个氧位点中，O采取120°弯曲几何构型，与1个Ag原子与1个As原子成键。在第二十七个氧位点中，O采取120°弯曲几何构型，与1个Ag原子与1个As原子成键。在第二十八个氧位点中，O采取120°弯曲几何构型，与1个Ag原子与1个As原子成键。