cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1207897
title: Materials Data on Li2ZrO3 by Materials Project

description: Li2ZrO3 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with two equivalent ZrO6 octahedra, corners with four LiO6 octahedra, edges with five equivalent ZrO6 octahedra, and edges with seven LiO6 octahedra. The corner-sharing octahedra tilt angles range from 0–10°. There are a spread of Li–O bond distances ranging from 2.17–2.26 Å. In the second Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with two equivalent ZrO6 octahedra, corners with four LiO6 octahedra, edges with five equivalent ZrO6 octahedra, and edges with seven LiO6 octahedra. The corner-sharing octahedra tilt angles range from 0–10°. There are a spread of Li–O bond distances ranging from 2.08–2.41 Å. Zr4+ is bonded to six O2- atoms to form ZrO6 octahedra that share corners with two equivalent ZrO6 octahedra, corners with four LiO6 octahedra, edges with two equivalent ZrO6 octahedra, and edges with ten LiO6 octahedra. The corner-sharing octahedra tilt angles range from 0–8°. There are a spread of Zr–O bond distances ranging from 2.11–2.15 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four Li1+ and two equivalent Zr4+ atoms to form a mixture of edge and corner-sharing OLi4Zr2 octahedra. The corner-sharing octahedra tilt angles range from 4–6°. In the second O2- site, O2- is bonded to four Li1+ and two equivalent Zr4+ atoms to form a mixture of edge and corner-sharing OLi4Zr2 octahedra. The corner-sharing octahedra tilt angles range from 0–8°.
DOI: 10.17188/1207898
title: Materials Data on Sr(NO3)2 by Materials Project

description: Sr(NO3)2 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Sr2+ is bonded to twelve equivalent O2- atoms to form corner-sharing SrO12 cuboctahedra. There are six shorter (2.75 Å) and six longer (2.90 Å) Sr–O bond lengths. N5+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All N–O bond lengths are 1.27 Å. O2- is bonded in a distorted single-bond geometry to two equivalent Sr2+ and one N5+ atom.
DOI: 10.17188/1207899
title: Materials Data on Nd2CuO4 by Materials Project

description: Nd2CuO4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Nd3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.34 Å) and four longer (2.72 Å) Nd–O bond lengths. Cu2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.99 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Nd3+ and two equivalent Cu2+ atoms to form distorted ONd4Cu2 octahedra that share corners with two equivalent ONd4Cu2 octahedra, corners with twelve equivalent ONd4 tetrahedra, edges with two equivalent ONd4Cu2 octahedra, edges with two equivalent ONd4 tetrahedra, and faces with four equivalent ONd4Cu2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second O2- site, O2- is bonded to four equivalent Nd3+ atoms to form ONd4 tetrahedra that share corners with twelve equivalent ONd4Cu2 octahedra, corners with four equivalent ONd4 tetrahedra, edges with two equivalent ONd4Cu2 octahedra, and edges with four equivalent ONd4 tetrahedra. The corner-sharing octahedra tilt angles range from 11–69°.
DOI: 10.17188/1207906
title: Materials Data on Cr3Os by Materials Project

description: Cr3Os crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Cr is bonded in a 6-coordinate geometry to two equivalent Cr and four equivalent Os atoms. Both Cr–Cr bond lengths are 2.32 Å. All Cr–Os bond lengths are 2.60 Å. Os is bonded to twelve equivalent Cr atoms to form a mixture of edge and face-sharing OsCr12 cuboctahedra.
DOI: 10.17188/1207907
title: Materials Data on Tl3PSe4 by Materials Project

description: Tl3PSe4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 7-coordinate geometry to seven Se2- atoms. There are a spread of Tl–Se bond distances ranging from 3.21–3.75 Å. In the second Tl1+ site, Tl1+ is bonded in a 5-coordinate geometry to five Se2- atoms. There are a spread of Tl–Se bond distances ranging from 3.14–3.88 Å. P5+ is bonded in a tetrahedral geometry to four Se2- atoms. There are three shorter (2.23 Å) and one longer (2.26 Å) P–Se bond lengths. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 1-coordinate geometry to four Tl1+ and one P5+ atom. In the second Se2- site, Se2- is bonded to five Tl1+ and one P5+ atom to form distorted edge-sharing SeTl5P octahedra. In the third Se2- site, Se2- is bonded in a 7-coordinate geometry to six Tl1+ and one P5+ atom.
DOI: 10.17188/1207908
title: Materials Data on Ca3Ti2O7 by Materials Project

description: Ca3Ti2O7 is Orthorhombic Perovskite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are two inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.36–2.68 Å. In the second Ca2+ site, Ca2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ca–O bond distances ranging from 2.30–2.56 Å. Ti4+ is bonded to six O2- atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedra tilt angles range from 21–29°. There are a spread of Ti–O bond distances ranging from 1.92–2.08 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three Ca2+ and two equivalent Ti4+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three Ca2+ and two equivalent Ti4+ atoms. In the third O2- site, O2- is bonded in a distorted see-saw-like geometry to three equivalent Ca2+ and one Ti4+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ca2+ and two equivalent Ti4+ atoms.
DOI: 10.17188/1207909
title: Materials Data on K2SnH2OF6 by Materials Project

description: K2SnH2OF6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 7-coordinate geometry to one O2- and six F1- atoms. The K–O bond length is 2.77 Å. There are a spread of K–F bond distances ranging from 2.59–2.76 Å. In the second K1+ site, K1+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of K–F bond distances ranging from 2.84–3.30 Å. There are two inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded in an octahedral geometry to six F1- atoms. All Sn–F bond lengths are 2.01 Å. In the second Sn4+ site, Sn4+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Sn–F bond distances ranging from 2.00–2.02 Å. There are two inequivalent H1+ sites. In the first 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 second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. O2- is bonded in a water-like geometry to one K1+ and two H1+ atoms. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a 4-coordinate geometry to three K1+ and one Sn4+ atom. In the second F1- site, F1- is bonded in a 3-coordinate geometry to two K1+ and one Sn4+ atom. In the third F1- site, F1- is bonded in a 4-coordinate geometry to three K1+ and one Sn4+ atom. In the fourth F1- site, F1- is bonded in a 1-coordinate geometry to two K1+ and one Sn4+ atom. In the fifth F1- site, F1- is bonded in a 1-coordinate geometry to three K1+ and one Sn4+ atom. In the sixth F1- site, F1- is bonded in a 1-coordinate geometry to three K1+ and one Sn4+ atom.
DOI: 10.17188/1207910
title: Materials Data on Nd2Co14B by Materials Project

description: Nd2Co14B crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 12-coordinate geometry to sixteen Co and two equivalent B atoms. There are a spread of Nd–Co bond distances ranging from 2.97–3.25 Å. Both Nd–B bond lengths are 3.11 Å. In the second Nd site, Nd is bonded in a 1-coordinate geometry to sixteen Co and one B atom. There are a spread of Nd–Co bond distances ranging from 2.96–3.30 Å. The Nd–B bond length is 2.83 Å. There are six inequivalent Co sites. In the first Co site, Co is bonded in a distorted q6 geometry to two Nd and ten Co atoms. There are a spread of Co–Co bond distances ranging from 2.34–2.58 Å. In the second Co site, Co is bonded to four Nd and eight Co atoms to form CoNd4Co8 cuboctahedra that share corners with twelve CoNd4Co8 cuboctahedra and faces with four equivalent CoNd3Co9 cuboctahedra. All Co–Co bond lengths are 2.52 Å. In the third Co site, Co is bonded in a distorted L-shaped geometry to two equivalent Nd, four Co, and two equivalent B atoms. There are two shorter (2.42 Å) and two longer (2.70 Å) Co–Co bond lengths. Both Co–B bond lengths are 2.02 Å. In the fourth Co site, Co is bonded in a 2-coordinate geometry to two Nd and twelve Co atoms. There are a spread of Co–Co bond distances ranging from 2.58–2.71 Å. In the fifth Co site, Co is bonded in a distorted single-bond geometry to two Nd, seven Co, and one B atom. The Co–Co bond length is 2.50 Å. The Co–B bond length is 2.05 Å. In the sixth Co site, Co is bonded to three Nd and nine Co atoms to form distorted CoNd3Co9 cuboctahedra that share corners with eight CoNd4Co8 cuboctahedra, an edgeedge with one CoNd3Co9 cuboctahedra, and faces with four CoNd4Co8 cuboctahedra. The Co–Co bond length is 2.40 Å. B is bonded in a 6-coordinate geometry to three Nd and six Co atoms.
DOI: 10.17188/1207911
title: Materials Data on TaNO by Materials Project

description: TaON is Baddeleyite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ta5+ is bonded to four equivalent N3- and three equivalent O2- atoms to form a mixture of distorted edge and corner-sharing TaN4O3 pentagonal bipyramids. There are a spread of Ta–N bond distances ranging from 2.07–2.18 Å. There are a spread of Ta–O bond distances ranging from 2.02–2.18 Å. N3- is bonded to four equivalent Ta5+ atoms to form a mixture of distorted edge and corner-sharing NTa4 tetrahedra. O2- is bonded in a 3-coordinate geometry to three equivalent Ta5+ atoms.
DOI: 10.17188/1207912
title: Materials Data on USiO4 by Materials Project

description: USiO4 is Zircon structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. U4+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are four shorter (2.30 Å) and four longer (2.45 Å) U–O bond lengths. Si4+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All Si–O bond lengths are 1.65 Å. O2- is bonded in a 1-coordinate geometry to two equivalent U4+ and one Si4+ atom.
DOI: 10.17188/1207913
title: Materials Data on MnRh by Materials Project

description: MnRh is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mn is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Mn–Rh bond lengths are 2.64 Å. Rh is bonded in a body-centered cubic geometry to eight equivalent Mn atoms.
DOI: 10.17188/1207914
title: Materials Data on NaTaO3 by Materials Project

description: NaTaO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Na1+ is bonded to twelve equivalent O2- atoms to form NaO12 cuboctahedra that share corners with twelve equivalent NaO12 cuboctahedra, faces with six equivalent NaO12 cuboctahedra, and faces with eight equivalent TaO6 octahedra. All Na–O bond lengths are 2.82 Å. Ta5+ is bonded to six equivalent O2- atoms to form TaO6 octahedra that share corners with six equivalent TaO6 octahedra and faces with eight equivalent NaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ta–O bond lengths are 1.99 Å. O2- is bonded in a distorted linear geometry to four equivalent Na1+ and two equivalent Ta5+ atoms.
DOI: 10.17188/1207916
title: Materials Data on DySi2Ni by Materials Project

description: DyNiSi2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Dy is bonded in a 4-coordinate geometry to four equivalent Ni and ten Si atoms. All Dy–Ni bond lengths are 3.05 Å. There are a spread of Dy–Si bond distances ranging from 3.01–3.11 Å. Ni is bonded in a 9-coordinate geometry to four equivalent Dy and five Si atoms. There are a spread of Ni–Si bond distances ranging from 2.26–2.33 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 12-coordinate geometry to four equivalent Dy and four equivalent Ni atoms. In the second Si site, Si is bonded in a 9-coordinate geometry to six equivalent Dy, one Ni, and two equivalent Si atoms. Both Si–Si bond lengths are 2.38 Å.
DOI: 10.17188/1207917
title: Materials Data on Na5GeP3 by Materials Project

description: Na5GeP3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are five inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to four P3- atoms to form NaP4 tetrahedra that share corners with three equivalent GeP4 tetrahedra, corners with five NaP4 tetrahedra, corners with three equivalent NaP5 trigonal bipyramids, an edgeedge with one NaP4 tetrahedra, an edgeedge with one GeP4 tetrahedra, and edges with two equivalent NaP5 trigonal bipyramids. There are a spread of Na–P bond distances ranging from 2.87–2.91 Å. In the second Na1+ site, Na1+ is bonded to four P3- atoms to form NaP4 tetrahedra that share corners with three equivalent NaP4 tetrahedra, corners with five equivalent GeP4 tetrahedra, corners with three equivalent NaP5 trigonal bipyramids, edges with two NaP4 tetrahedra, and edges with two equivalent NaP5 trigonal bipyramids. There are a spread of Na–P bond distances ranging from 2.91–3.03 Å. In the third Na1+ site, Na1+ is bonded in a 5-coordinate geometry to five P3- atoms. There are a spread of Na–P bond distances ranging from 2.87–3.42 Å. In the fourth Na1+ site, Na1+ is bonded to five P3- atoms to form distorted NaP5 trigonal bipyramids that share corners with two equivalent GeP4 tetrahedra, corners with six NaP4 tetrahedra, corners with two equivalent NaP5 trigonal bipyramids, edges with two equivalent GeP4 tetrahedra, edges with four NaP4 tetrahedra, and an edgeedge with one NaP5 trigonal bipyramid. There are a spread of Na–P bond distances ranging from 3.04–3.31 Å. In the fifth Na1+ site, Na1+ is bonded in a 4-coordinate geometry to four P3- atoms. There are a spread of Na–P bond distances ranging from 2.94–3.32 Å. Ge4+ is bonded to four P3- atoms to form GeP4 tetrahedra that share corners with eight NaP4 tetrahedra, corners with two equivalent NaP5 trigonal bipyramids, an edgeedge with one NaP4 tetrahedra, an edgeedge with one GeP4 tetrahedra, and edges with two equivalent NaP5 trigonal bipyramids. There are a spread of Ge–P bond distances ranging from 2.36–2.45 Å. There are three inequivalent P3- sites. In the first P3- site, P3- is bonded in a 9-coordinate geometry to eight Na1+ and one Ge4+ atom. In the second P3- site, P3- is bonded in a 8-coordinate geometry to seven Na1+ and one Ge4+ atom. In the third P3- site, P3- is bonded in a 9-coordinate geometry to seven Na1+ and two equivalent Ge4+ atoms.
DOI: 10.5281/zenodo.4475801
title: qdgc Somalia

description: QDGC tables delivered in geopackage file<br> - - - - - - - - - - - - - - - - - - - - - -<br> QDGC represents a way of making (almost) equal area squares covering a specific area to represent specific qualities of the area covered. The squares themselves are based on the degree squares covering earth. Around the equator we have 360 longitudinal lines , and from the north to the south pole we have 180 latitudinal lines. Together this gives us 64800 segments or tiles covering earth.<br> <br> <br> Within each geopackage file you will find a number of tables with these names:<br> -tbl_qdgc_01<br> -tbl_qdgc_02<br> -tbl_qdgc_03<br> -tbl_qdgc_04<br> -tbl_qdgc_05<br> -etc<br> <br> <br> The attributes for each table are:<br> qdgc Unique Quarter Degree Grid Cell reference string<br> area_reference Country<br> level_qdgc QDGC level<br> cellsize degrees decimal degree for the longitudal and latitudal length of the cell<br> lon_center Longitude center of the cell<br> lat_center Latitudal center of the cell<br> area_km2 Calculated area for the cell<br> geom Geometry<br> <br> <br> Metadata<br> --------<br> Geodata GCS_WGS_1984<br> Datum: D_WGS_1984<br> Prime Meridian: 0<br> <br> <br> Areas are calculated with different versions of Albers Equal Area Conic using the PostGIS function st_area. For the African continent I have used Africa Albers Equal Area Conic which will look like this:<br> - st_area(st_transform(geom, 102022))/1000000)<br> <br> <br> Conditions<br> ----------<br> Delivered to the user as-is. No guarantees. If you find errors, please tell me and I will try to fix it. Suggestions for improvements can be addressed to the github repository: https://github.com/ragnvald/qdgc<br> <br> <br> Thankyou<br> --------<br> The work has over the years been supported and received advice and moral support from many organisations and stakeholders. Here are some of them:<br> - Tanzania Wildlife Research Institute<br> - Dept of Biology, NTNU, Norway<br> - Norwegian Environment Agency<br> - Eivin Røskaft, Steven Prager, Howard Frederick, Julian Blanc, Honori Maliti, Paul Ramsey<br> <br> <br> References<br> ----------<br> * http://en.wikipedia.org/wiki/QDGC<br> * http://www.mindland.com/wp/projects/quarter-degree-grid-cells/about-qdgc/<br> * http://en.wikipedia.org/wiki/Lambert_azimuthal_equal-area_projection<br> * http://www.safe.com
description: Added Economical Exclusive Zones (EEZ) to the calculation. Makes the grid area bigger. Decompressed size 1.34 GB.
DOI: 10.17188/1207919
title: Materials Data on Na8Al6Si6SO28 by Materials Project

description: Na8Al6Si6SO28 crystallizes in the cubic P23 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 3-coordinate geometry to nine O2- atoms. There are a spread of Na–O bond distances ranging from 2.45–3.00 Å. In the second Na1+ site, Na1+ is bonded to four O2- atoms to form NaO4 trigonal pyramids that share a cornercorner with one SO4 tetrahedra, corners with three equivalent AlO4 tetrahedra, and corners with three equivalent SiO4 tetrahedra. There are three shorter (2.30 Å) and one longer (2.36 Å) Na–O bond lengths. Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with four equivalent SiO4 tetrahedra and corners with two equivalent NaO4 trigonal pyramids. There is two shorter (1.75 Å) and two longer (1.76 Å) Al–O bond length. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with four equivalent AlO4 tetrahedra and corners with two equivalent NaO4 trigonal pyramids. All Si–O bond lengths are 1.64 Å. S6+ is bonded to four equivalent O2- atoms to form SO4 tetrahedra that share corners with four equivalent NaO4 trigonal pyramids. All S–O bond lengths are 1.49 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two Na1+, one Al3+, and one Si4+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to four Na1+ and one S6+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Na1+, one Al3+, and one Si4+ atom.
DOI: 10.17188/1207920
title: Materials Data on HoNiSb by Materials Project

description: HoNiSb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ho is bonded in a 4-coordinate geometry to four equivalent Ni and six equivalent Sb atoms. All Ho–Ni bond lengths are 2.74 Å. All Ho–Sb bond lengths are 3.17 Å. Ni is bonded in a body-centered cubic geometry to four equivalent Ho and four equivalent Sb atoms. All Ni–Sb bond lengths are 2.74 Å. Sb is bonded in a distorted q6 geometry to six equivalent Ho and four equivalent Ni atoms.
DOI: 10.17188/1207921
title: Materials Data on CaNdTiMnO6 by Materials Project

description: CaNdTiMnO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pc space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.37–2.74 Å. Nd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.38–2.74 Å. Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 26–31°. There are a spread of Ti–O bond distances ranging from 1.94–2.02 Å. Mn3+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent TiO6 octahedra. The corner-sharing octahedra tilt angles range from 26–31°. There are a spread of Mn–O bond distances ranging from 1.93–2.14 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded to one Ca2+, one Nd3+, one Ti4+, and one Mn3+ atom to form distorted corner-sharing OCaNdTiMn tetrahedra. In the second O2- site, O2- is bonded in a 5-coordinate geometry to one Ca2+, two equivalent Nd3+, one Ti4+, and one Mn3+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to one Ca2+, two equivalent Nd3+, one Ti4+, and one Mn3+ atom. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Ca2+, one Nd3+, one Ti4+, and one Mn3+ atom. In the fifth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Ca2+, one Nd3+, one Ti4+, and one Mn3+ atom. In the sixth O2- site, O2- is bonded to one Ca2+, one Nd3+, one Ti4+, and one Mn3+ atom to form distorted corner-sharing OCaNdTiMn tetrahedra.
DOI: 10.17188/1207922
title: Materials Data on ZnSnP2 by Materials Project

description: ZnSnP2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Zn2+ is bonded to four equivalent P3- atoms to form ZnP4 tetrahedra that share corners with four equivalent ZnP4 tetrahedra and corners with eight equivalent SnP4 tetrahedra. All Zn–P bond lengths are 2.40 Å. Sn4+ is bonded to four equivalent P3- atoms to form SnP4 tetrahedra that share corners with four equivalent SnP4 tetrahedra and corners with eight equivalent ZnP4 tetrahedra. All Sn–P bond lengths are 2.55 Å. P3- is bonded to two equivalent Zn2+ and two equivalent Sn4+ atoms to form corner-sharing PZn2Sn2 tetrahedra.
DOI: 10.17188/1207923
title: Materials Data on La(SiPt)2 by Materials Project

description: LaPt2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. La2+ is bonded to eight equivalent Si4- atoms to form LaSi8 hexagonal bipyramids that share corners with sixteen equivalent PtSi4 tetrahedra, edges with four equivalent LaSi8 hexagonal bipyramids, edges with eight equivalent PtSi4 tetrahedra, and faces with four equivalent LaSi8 hexagonal bipyramids. All La–Si bond lengths are 3.29 Å. Pt3+ is bonded to four equivalent Si4- atoms to form PtSi4 tetrahedra that share corners with eight equivalent LaSi8 hexagonal bipyramids, corners with four equivalent PtSi4 tetrahedra, edges with four equivalent LaSi8 hexagonal bipyramids, and edges with four equivalent PtSi4 tetrahedra. All Pt–Si bond lengths are 2.50 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent La2+, four equivalent Pt3+, and one Si4- atom. The Si–Si bond length is 2.45 Å.