Materials Data on Na2Al2Si3(HO3)4 by Materials Project
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Na2Al2Si3(HO3)4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eight inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.37–2.99 Å. In the second Na1+ site, Na1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.40–2.73 Å. In the third Na1+ site, Na1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Na–O bond distances ranging from 2.32–2.63 Å. In the fourth Na1+ site, Na1+ is bonded in a 2-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.25–3.09 Å. In the fifth Na1+ site, Na1+ is bonded in a 4-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.27–2.98 Å. In the sixth Na1+ site, Na1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.29–2.86 Å. In the seventh Na1+ site, Na1+ is bonded in a 5-coordinate geometry to one H1+ and four O2- atoms. The Na–H bond length is 2.53 Å. There are a spread of Na–O bond distances ranging from 2.39–2.49 Å. In the eighth Na1+ site, Na1+ is bonded in a 6-coordinate geometry to three H1+ and three O2- atoms. There are a spread of Na–H bond distances ranging from 2.41–2.64 Å. There are a spread of Na–O bond distances ranging from 2.28–2.70 Å. There are eight inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share a cornercorner with one SiHO3 tetrahedra and a cornercorner with one SiHO4 trigonal bipyramid. There are a spread of Al–O bond distances ranging from 1.75–1.89 Å. In the second Al3+ site, Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share a cornercorner with one AlO4 tetrahedra and a cornercorner with one SiO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.75–1.81 Å. In the third Al3+ site, Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share a cornercorner with one AlO4 tetrahedra, a cornercorner with one SiO4 tetrahedra, and a cornercorner with one AlO5 trigonal bipyramid. There are a spread of Al–O bond distances ranging from 1.75–1.91 Å. In the fourth Al3+ site, Al3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Al–O bond distances ranging from 1.76–1.99 Å. In the fifth Al3+ site, Al3+ is bonded to one H1+ and three O2- atoms to form AlHO3 tetrahedra that share a cornercorner with one AlHO5 octahedra and a cornercorner with one SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 61°. The Al–H bond length is 1.64 Å. There are a spread of Al–O bond distances ranging from 1.75–1.86 Å. In the sixth Al3+ site, Al3+ is bonded to one H1+ and five O2- atoms to form distorted AlHO5 octahedra that share a cornercorner with one AlHO3 tetrahedra, corners with two SiO4 tetrahedra, and an edgeedge with one AlO5 trigonal bipyramid. The Al–H bond length is 1.84 Å. There are a spread of Al–O bond distances ranging from 1.78–2.15 Å. In the seventh Al3+ site, Al3+ is bonded to five O2- atoms to form distorted AlO5 trigonal bipyramids that share a cornercorner with one AlO4 tetrahedra and a cornercorner with one SiO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.81–2.02 Å. In the eighth Al3+ site, Al3+ is bonded to five O2- atoms to form distorted AlO5 trigonal bipyramids that share a cornercorner with one SiO4 tetrahedra and an edgeedge with one AlHO5 octahedra. There are a spread of Al–O bond distances ranging from 1.75–2.31 Å. There are twelve inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.63 Å) and one longer (1.69 Å) Si–O bond length. In the second Si4+ site, Si4+ is bonded in a trigonal non-coplanar geometry to one H1+ and two O2- atoms. The Si–H bond length is 1.49 Å. There is one shorter (1.62 Å) and one longer (1.69 Å) Si–O bond length. In the third Si4+ site, Si4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Si–O bond distances ranging from 1.62–1.68 Å. In the fourth Si4+ site, Si4+ is bonded to one H1+ and four O2- atoms to form SiHO4 trigonal bipyramids that share a cornercorner with one AlO4 tetrahedra. The Si–H bond length is 1.52 Å. There are a spread of Si–O bond distances ranging from 1.71–1.80 Å. In the fifth Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one AlHO5 octahedra, a cornercorner with one AlHO3 tetrahedra, and a cornercorner with one SiHO4 trigonal bipyramid. The corner-sharing octahedral tilt angles are 49°. There are a spread of Si–O bond distances ranging from 1.59–1.72 Å. In the sixth Si4+ site, Si4+ is bonded to one H1+ and four O2- atoms to form distorted corner-sharing SiHO4 trigonal bipyramids. The Si–H bond length is 1.48 Å. There are a spread of Si–O bond distances ranging from 1.69–1.76 Å. In the seventh Si4+ site, Si4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Si–O bond distances ranging from 1.66–1.69 Å. In the eighth Si4+ site, Si4+ is bonded in a trigonal non-coplanar geometry to two H1+ and one O2- atom. There is one shorter (1.49 Å) and one longer (1.51 Å) Si–H bond length. The Si–O bond length is 1.65 Å. In the ninth Si4+ site, Si4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Si–O bond distances ranging from 1.62–1.69 Å. In the tenth Si4+ site, Si4+ is bonded to one H1+ and three O2- atoms to form SiHO3 tetrahedra that share a cornercorner with one AlO4 tetrahedra. The Si–H bond length is 1.47 Å. There are a spread of Si–O bond distances ranging from 1.62–1.69 Å. In the eleventh Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one AlHO5 octahedra, a cornercorner with one AlO5 trigonal bipyramid, and a cornercorner with one SiHO4 trigonal bipyramid. The corner-sharing octahedral tilt angles are 53°. There are a spread of Si–O bond distances ranging from 1.63–1.66 Å. In the twelfth Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with two AlO4 tetrahedra and a cornercorner with one AlO5 trigonal bipyramid. There are a spread of Si–O bond distances ranging from 1.58–1.72 Å. There are sixteen inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a bent 120 degrees geometry to one Na1+ and one Si4+ atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one Si4+ atom. In the third H1+ site, H1+ is bonded in a bent 120 degrees geometry to one Na1+ and one Si4+ atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one Si4+ atom. In the sixth H1+ site, H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.04 Å) and one longer (1.53 Å) H–O bond length. In the seventh H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.05 Å) and one longer (1.56 Å) H–O bond length. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the ninth H1+ site, H1+ is bonded in a single-bond geometry to one Si4+ atom. In the tenth H1+ site, H1+ is bonded in a bent 120 degrees geometry to one Na1+ and one Si4+ atom. In the eleventh H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. In the twelfth H1+ site, H1+ is bonded in a distorted single-bond geometry to two O2- atoms. There is one shorter (1.00 Å) and one longer (1.69 Å) H–O bond length. In the thirteenth H1+ site, H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.01 Å) and one longer (1.57 Å) H–O bond length. In the fourteenth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. In the fifteenth H1+ site, H1+ is bonded in a distorted bent 120 degrees geometry to one Na1+ and two Al3+ atoms. In the sixteenth H1+ site, H1+ is bonded in a single-bond geometry to two O2- atoms. There is one shorter (1.01 Å) and one longer (1.75 Å) H–O bond length. There are forty-eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to one Al3+, one Si4+, and one H1+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three Na1+ and one Si4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two Na1+, one Si4+, and one O2- atom. The O–O bond length is 1.50 Å. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one Al3+ and one Si4+ atom. In the fifth O2- site, O2- is bonded in a trigonal planar geometry to two Al3+ and one H1+ atom. In the sixth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two Na1+, one Al3+, and one Si4+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to one Na1+ and one H1+ atom. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one Al3+, and one H1+ atom. In the ninth O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one Si4+, and one O2- atom. The O–O bond length is 1.51 Å. In the tenth O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+, one Al3+, and one O2- atom. In the eleventh O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one Al3+, and one Si4+ atom. In the twelfth O2- site, O2- is bonded in a 2-coordinate geometry to one Na1+, one Al3+, and one Si4+ atom. In the thirteenth O2- site, O2- is bonded in a distorted single-bond geometry to one Na1+, one H1+, and one O2- atom. The O–O bond length is 1.47 Å. In the fourteenth O2- site, O2- is bonded in a distorted single-bond geometry to one Na1+, one Si4+, and one O2- atom. The O–O bond length is 1.50 Å. In the fifteenth O2- site, O2- is bonded in a 1-coordinate geometry to two Na1+, one Al3+, and one O2- atom. In the sixteenth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Na1+, one Al3+, and one Si4+ atom. In the seventeenth O2- site, O2- is bonded in a bent 120 degrees geometry to one Si4+ and one H1+ atom. In the eighteenth O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+, one Al3+, and one O2- atom. The O–O bond length is 1.42 Å. In the nineteenth O2- site, O2- is bonded in a 2-coordinate geometry to two Al3+ and one O2- atom. In the twentieth O2- site, O2- is bonded in a trigonal non-coplanar geometry to one Al3+, one Si4+, and one H1+ atom. In the twenty-first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Al3+, one Si4+, and one H1+ atom. In the twenty-second O2- site, O2- is bonded in a distorted single-bond geometry to one Na1+, one H1+, and one O2- atom. The O–O bond length is 1.48 Å. In the twenty-third O2- site, O2- is bonded in a trigonal planar geometry to two Al3+ and one Si4+ atom. In the twenty-fourth O2- site, O2- is bonded in a trigonal non-coplanar geometry to two Al3+ and one Si4+ atom. In the twenty-fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Na1+, one Al3+, one H1+, and one O2- atom. In the twenty-sixth O2- site, O2- is bonded in a 2-coordinate geometry to two Al3+ and one O2- atom. The O–O bond length is 1.55 Å. In the twenty-seventh O2- site, O2- is bonded in a bent 120 degrees geometry to one Al3+ and one Si4+ atom. In the twenty-eighth O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one Al3+, and one H1+ atom. In the twenty-ninth O2- site, O2- is bonded in a 4-coordinate geometry to two Na1+, one Al3+, and one Si4+ atom. In the thirtieth O2- site, O2- is bonded in a 1-coordinate g
Na₂Al₂Si₃(HO₃)₄晶体属三斜晶系P1空间群,结构呈三维网状。存在8个不等价的Na¹⁺位点:第一个Na¹⁺位点中,Na¹⁺以五配位几何构型与5个O²⁻原子成键,Na–O键长分布在2.37–2.99 Å之间;第二个Na¹⁺位点中,Na¹⁺以五配位几何构型与5个O²⁻原子成键,Na–O键长分布在2.40–2.73 Å之间;第三个Na¹⁺位点中,Na¹⁺以七配位几何构型与7个O²⁻原子成键,Na–O键长分布在2.32–2.63 Å之间;第四个Na¹⁺位点中,Na¹⁺以二配位几何构型与6个O²⁻原子成键,Na–O键长分布在2.25–3.09 Å之间;第五个Na¹⁺位点中,Na¹⁺以四配位几何构型与5个O²⁻原子成键,Na–O键长分布在2.27–2.98 Å之间;第六个Na¹⁺位点中,Na¹⁺以五配位几何构型与5个O²⁻原子成键,Na–O键长分布在2.29–2.86 Å之间;第七个Na¹⁺位点中,Na¹⁺以五配位几何构型与1个H¹⁺和4个O²⁻原子成键,Na–H键长为2.53 Å,Na–O键长分布在2.39–2.49 Å之间;第八个Na¹⁺位点中,Na¹⁺以六配位几何构型与3个H¹⁺和3个O²⁻原子成键,Na–H键长分布在2.41–2.64 Å之间,Na–O键长分布在2.28–2.70 Å之间。存在8个不等价的Al³⁺位点:第一个Al³⁺位点中,Al³⁺与4个O²⁻原子成键形成AlO₄四面体,该四面体与1个SiHO₃四面体和1个SiHO₄三角双锥共顶点,Al–O键长分布在1.75–1.89 Å之间;第二个Al³⁺位点中,Al³⁺与4个O²⁻原子成键形成AlO₄四面体,该四面体与1个AlO₄四面体和1个SiO₄四面体共顶点,Al–O键长分布在1.75–1.81 Å之间;第三个Al³⁺位点中,Al³⁺与4个O²⁻原子成键形成AlO₄四面体,该四面体与1个AlO₄四面体、1个SiO₄四面体和1个AlO₅三角双锥共顶点,Al–O键长分布在1.75–1.91 Å之间;第四个Al³⁺位点中,Al³⁺以五配位几何构型与5个O²⁻原子成键,Al–O键长分布在1.76–1.99 Å之间;第五个Al³⁺位点中,Al³⁺与1个H¹⁺和3个O²⁻原子成键形成AlHO₃四面体,该四面体与1个AlHO₅八面体和1个SiO₄四面体共顶点,共顶点八面体的倾斜角为61°,Al–H键长为1.64 Å,Al–O键长分布在1.75–1.86 Å之间;第六个Al³⁺位点中,Al³⁺与1个H¹⁺和5个O²⁻原子成键形成扭曲的AlHO₅八面体,该八面体与1个AlHO₃四面体、2个SiO₄四面体共顶点,并与1个AlO₅三角双锥共边,Al–H键长为1.84 Å,Al–O键长分布在1.78–2.15 Å之间;第七个Al³⁺位点中,Al³⁺与5个O²⁻原子成键形成扭曲的AlO₅三角双锥,该双锥与1个AlO₄四面体和1个SiO₄四面体共顶点,Al–O键长分布在1.81–2.02 Å之间;第八个Al³⁺位点中,Al³⁺与5个O²⁻原子成键形成扭曲的AlO₅三角双锥,该双锥与1个SiO₄四面体共顶点,并与1个AlHO₅八面体共边,Al–O键长分布在1.75–2.31 Å之间。存在12个不等价的Si⁴⁺位点:第一个Si⁴⁺位点中,Si⁴⁺以三角非共面几何构型与3个O²⁻原子成键,Si–O键长有2个较短(1.63 Å)和1个较长(1.69 Å);第二个Si⁴⁺位点中,Si⁴⁺以三角非共面几何构型与1个H¹⁺和2个O²⁻原子成键,Si–H键长为1.49 Å,Si–O键长有1个较短(1.62 Å)和1个较长(1.69 Å);第三个Si⁴⁺位点中,Si⁴⁺以三角非共面几何构型与3个O²⁻原子成键,Si–O键长分布在1.62–1.68 Å之间;第四个Si⁴⁺位点中,Si⁴⁺与1个H¹⁺和4个O²⁻原子成键形成SiHO₄三角双锥,该双锥与1个AlO₄四面体共顶点,Si–H键长为1.52 Å,Si–O键长分布在1.71–1.80 Å之间;第五个Si⁴⁺位点中,Si⁴⁺与4个O²⁻原子成键形成SiO₄四面体,该四面体与1个AlHO₅八面体、1个AlHO₃四面体和1个SiHO₄三角双锥共顶点,共顶点八面体的倾斜角为49°,Si–O键长分布在1.59–1.72 Å之间;第六个Si⁴⁺位点中,Si⁴⁺与1个H¹⁺和4个O²⁻原子成键形成扭曲的共顶点SiHO₄三角双锥,Si–H键长为1.48 Å,Si–O键长分布在1.69–1.76 Å之间;第七个Si⁴⁺位点中,Si⁴⁺以三角非共面几何构型与3个O²⁻原子成键,Si–O键长分布在1.66–1.69 Å之间;第八个Si⁴⁺位点中,Si⁴⁺以三角非共面几何构型与2个H¹⁺和1个O²⁻原子成键,Si–H键长有1个较短(1.49 Å)和1个较长(1.51 Å),Si–O键长为1.65 Å;第九个Si⁴⁺位点中,Si⁴⁺以三角非共面几何构型与3个O²⁻原子成键,Si–O键长分布在1.62–1.69 Å之间;第十个Si⁴⁺位点中,Si⁴⁺与1个H¹⁺和3个O²⁻原子成键形成SiHO₃四面体,该四面体与1个AlO₄四面体共顶点,Si–H键长为1.47 Å,Si–O键长分布在1.62–1.69 Å之间;第十一个Si⁴⁺位点中,Si⁴⁺与4个O²⁻原子成键形成SiO₄四面体,该四面体与1个AlHO₅八面体、1个AlO₅三角双锥和1个SiHO₄三角双锥共顶点,共顶点八面体的倾斜角为53°,Si–O键长分布在1.63–1.66 Å之间;第十二个Si⁴⁺位点中,Si⁴⁺与4个O²⁻原子成键形成SiO₄四面体,该四面体与2个AlO₄四面体和1个AlO₅三角双锥共顶点,Si–O键长分布在1.58–1.72 Å之间。存在16个不等价的H¹⁺位点:第一个H¹⁺位点中,H¹⁺以120°弯曲几何构型与1个Na¹⁺和1个Si⁴⁺原子成键;第二个H¹⁺位点中,H¹⁺以单键构型与1个Si⁴⁺原子成键;第三个H¹⁺位点中,H¹⁺以120°弯曲几何构型与1个Na¹⁺和1个Si⁴⁺原子成键;第四个H¹⁺位点中,H¹⁺以单键构型与1个O²⁻原子成键,H–O键长为0.98 Å;第五个H¹⁺位点中,H¹⁺以单键构型与1个Si⁴⁺原子成键;第六个H¹⁺位点中,H¹⁺以扭曲直线几何构型与2个O²⁻原子成键,H–O键长有1个较短(1.04 Å)和1个较长(1.53 Å);第七个H¹⁺位点中,H¹⁺以直线几何构型与2个O²⁻原子成键,H–O键长有1个较短(1.05 Å)和1个较长(1.56 Å);第八个H¹⁺位点中,H¹⁺以单键构型与1个O²⁻原子成键,H–O键长为0.98 Å;第九个H¹⁺位点中,H¹⁺以单键构型与1个Si⁴⁺原子成键;第十个H¹⁺位点中,H¹⁺以120°弯曲几何构型与1个Na¹⁺和1个Si⁴⁺原子成键;第十一个H¹⁺位点中,H¹⁺以单键构型与1个O²⁻原子成键,H–O键长为0.97 Å;第十二个H¹⁺位点中,H¹⁺以扭曲单键构型与2个O²⁻原子成键,H–O键长有1个较短(1.00 Å)和1个较长(1.69 Å);第十三个H¹⁺位点中,H¹⁺以扭曲直线几何构型与2个O²⁻原子成键,H–O键长有1个较短(1.01 Å)和1个较长(1.57 Å);第十四个H¹⁺位点中,H¹⁺以单键构型与1个O²⁻原子成键,H–O键长为0.97 Å;第十五个H¹⁺位点中,H¹⁺以扭曲120°弯曲几何构型与1个Na¹⁺和2个Al³⁺原子成键;第十六个H¹⁺位点中,H¹⁺以单键构型与2个O²⁻原子成键,H–O键长有1个较短(1.01 Å)和1个较长(1.75 Å)。存在48个不等价的O²⁻位点:第一个O²⁻位点中,O²⁻以三角平面几何构型与1个Al³⁺、1个Si⁴⁺和1个H¹⁺原子成键;第二个O²⁻位点中,O²⁻以四配位几何构型与3个Na¹⁺和1个Si⁴⁺原子成键;第三个O²⁻位点中,O²⁻以扭曲单键构型与2个Na¹⁺、1个Si⁴⁺和1个O²⁻原子成键,O–O键长为1.50 Å;第四个O²⁻位点中,O²⁻以120°弯曲几何构型与1个Al³⁺和1个Si⁴⁺原子成键;第五个O²⁻位点中,O²⁻以三角平面几何构型与2个Al³⁺和1个H¹⁺原子成键;第六个O²⁻位点中,O²⁻以扭曲矩形跷跷板状几何构型与2个Na¹⁺、1个Al³⁺和1个Si⁴⁺原子成键;第七个O²⁻位点中,O²⁻以扭曲单键构型与1个Na¹⁺和1个H¹⁺原子成键;第八个O²⁻位点中,O²⁻以三配位几何构型与1个Na¹⁺、1个Al³⁺和1个H¹⁺原子成键;第九个O²⁻位点中,O²⁻以三配位几何构型与1个Na¹⁺、1个Si⁴⁺和1个O²⁻原子成键,O–O键长为1.51 Å;第十个O²⁻位点中,O²⁻以单配位几何构型与1个Na¹⁺、1个Al³⁺和1个O²⁻原子成键;第十一个O²⁻位点中,O²⁻以三配位几何构型与1个Na¹⁺、1个Al³⁺和1个Si⁴⁺原子成键;第十二个O²⁻位点中,O²⁻以二配位几何构型与1个Na¹⁺、1个Al³⁺和1个Si⁴⁺原子成键;第十三个O²⁻位点中,O²⁻以扭曲单键构型与1个Na¹⁺、1个H¹⁺和1个O²⁻原子成键,O–O键长为1.47 Å;第十四个O²⁻位点中,O²⁻以扭曲单键构型与1个Na¹⁺、1个Si⁴⁺和1个O²⁻原子成键,O–O键长为1.50 Å;第十五个O²⁻位点中,O²⁻以单配位几何构型与2个Na¹⁺、1个Al³⁺和1个O²⁻原子成键;第十六个O²⁻位点中,O²⁻以扭曲150°弯曲几何构型与1个Na¹⁺、1个Al³⁺和1个Si⁴⁺原子成键;第十七个O²⁻位点中,O²⁻以120°弯曲几何构型与1个Si⁴⁺和1个H¹⁺原子成键;第十八个O²⁻位点中,O²⁻以单配位几何构型与1个Na¹⁺、1个Al³⁺和1个O²⁻原子成键,O–O键长为1.42 Å;第十九个O²⁻位点中,O²⁻以二配位几何构型与2个Al³⁺和1个O²⁻原子成键;第二十个O²⁻位点中,O²⁻以三角非共面几何构型与1个Al³⁺、1个Si⁴⁺和1个H¹⁺原子成键;第二十一个O²⁻位点中,O²⁻以扭曲120°弯曲几何构型与1个Al³⁺、1个Si⁴⁺和1个H¹⁺原子成键;第二十二个O²⁻位点中,O²⁻以扭曲单键构型与1个Na¹⁺、1个H¹⁺和1个O²⁻原子成键,O–O键长为1.48 Å;第二十三个O²⁻位点中,O²⁻以三角平面几何构型与2个Al³⁺和1个Si⁴⁺原子成键;第二十四个O²⁻位点中,O²⁻以三角非共面几何构型与2个Al³⁺和1个Si⁴⁺原子成键;第二十五个O²⁻位点中,O²⁻以扭曲单键构型与1个Na¹⁺、1个Al³⁺、1个H¹⁺和1个O²⁻原子成键;第二十六个O²⁻位点中,O²⁻以二配位几何构型与2个Al³⁺和1个O²⁻原子成键,O–O键长为1.55 Å;第二十七个O²⁻位点中,O²⁻以120°弯曲几何构型与1个Al³⁺和1个Si⁴⁺原子成键;第二十八个O²⁻位点中,O²⁻以三配位几何构型与1个Na¹⁺、1个Al³⁺和1个H¹⁺原子成键;第二十九个O²⁻位点中,O²⁻以四配位几何构型与2个Na¹⁺、1个Al³⁺和1个Si⁴⁺原子成键;第三十个O²⁻位点中,O²⁻以单配位几何构型...
提供机构:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
创建时间:
2020-12-30



