cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1200010
title: Materials Data on PH9C3Br3N by Materials Project

description: C3PNH9Br3 is Silicon tetrafluoride-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four C3PNH9Br3 clusters. there are three inequivalent C+2.67- sites. In the first C+2.67- site, C+2.67- is bonded to one N3- and three H1+ atoms to form corner-sharing CH3N tetrahedra. The C–N bond length is 1.47 Å. All C–H bond lengths are 1.10 Å. In the second C+2.67- site, C+2.67- is bonded to one N3- and three H1+ atoms to form corner-sharing CH3N tetrahedra. The C–N bond length is 1.47 Å. All C–H bond lengths are 1.10 Å. In the third C+2.67- site, C+2.67- is bonded to one N3- and three H1+ atoms to form corner-sharing CH3N tetrahedra. The C–N bond length is 1.47 Å. All C–H bond lengths are 1.10 Å. P5+ is bonded in a rectangular see-saw-like geometry to one N3- and three Br1- atoms. The P–N bond length is 2.40 Å. There are a spread of P–Br bond distances ranging from 2.26–2.47 Å. N3- is bonded in a distorted trigonal non-coplanar geometry to three C+2.67- and one P5+ atom. There are eight inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C+2.67- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C+2.67- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C+2.67- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one C+2.67- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one C+2.67- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one C+2.67- atom. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one C+2.67- atom. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one C+2.67- atom. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one P5+ atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to one P5+ atom. In the third Br1- site, Br1- is bonded in a single-bond geometry to one P5+ atom.
DOI: 10.17188/1200011
title: Materials Data on NpH2 by Materials Project

description: NpH2 is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Np is bonded in a body-centered cubic geometry to eight equivalent H atoms. All Np–H bond lengths are 2.26 Å. H is bonded to four equivalent Np atoms to form a mixture of edge and corner-sharing HNp4 tetrahedra.
DOI: 10.17188/1200012
title: Materials Data on ZrH2 by Materials Project

description: ZrH2 is Fluorite-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Zr2+ is bonded in a body-centered cubic geometry to eight equivalent H1- atoms. All Zr–H bond lengths are 2.09 Å. H1- is bonded to four equivalent Zr2+ atoms to form a mixture of edge and corner-sharing HZr4 tetrahedra.
DOI: 10.17188/1200013
title: Materials Data on CrH by Materials Project

description: CrH is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cr is bonded to six equivalent H atoms to form a mixture of corner and edge-sharing CrH6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cr–H bond lengths are 1.89 Å. H is bonded to six equivalent Cr atoms to form a mixture of corner and edge-sharing HCr6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.6073/pasta/de4cfe2e240a76808968f3c7df818ef0
title: High and Low Tides of Hog Island Bay, Redbank, VA, and Oyster, VA for the Virginia Coast Reserve 2007-2018

description: This dataset is a summary version of the 12-minute tide data. It records the date, time and level of tides at high and low tide (as indicated by the data). Water temperatures are also recorded.
DOI: 10.17188/1200014
title: Materials Data on LuH2 by Materials Project

description: LuH2 is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Lu is bonded in a body-centered cubic geometry to eight equivalent H atoms. All Lu–H bond lengths are 2.17 Å. H is bonded to four equivalent Lu atoms to form a mixture of edge and corner-sharing HLu4 tetrahedra.
DOI: 10.17188/1200015
title: Materials Data on HPd by Materials Project

description: PdH is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pd is bonded to six equivalent H atoms to form a mixture of corner and edge-sharing PdH6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Pd–H bond lengths are 2.07 Å. H is bonded to six equivalent Pd atoms to form a mixture of corner and edge-sharing HPd6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1200016
title: Materials Data on HS7N by Materials Project

description: NHS7 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four heptathiazocane molecules. N5+ is bonded in a trigonal planar geometry to one H1+ and two equivalent S+0.86- atoms. The N–H bond length is 1.03 Å. Both N–S bond lengths are 1.68 Å. H1+ is bonded in a single-bond geometry to one N5+ atom. There are four inequivalent S+0.86- sites. In the first S+0.86- site, S+0.86- is bonded in a water-like geometry to two equivalent S+0.86- atoms. Both S–S bond lengths are 2.06 Å. In the second S+0.86- site, S+0.86- is bonded in a distorted single-bond geometry to one N5+ and one S+0.86- atom. The S–S bond length is 2.06 Å. In the third S+0.86- site, S+0.86- is bonded in a water-like geometry to two S+0.86- atoms. The S–S bond length is 2.08 Å. In the fourth S+0.86- site, S+0.86- is bonded in a water-like geometry to two S+0.86- atoms.
DOI: 10.17188/1200017
title: Materials Data on ThH2 by Materials Project

description: ThH2 is Fluorite-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Th is bonded in a body-centered cubic geometry to eight equivalent H atoms. All Th–H bond lengths are 2.38 Å. H is bonded to four equivalent Th atoms to form a mixture of edge and corner-sharing HTh4 tetrahedra.
DOI: 10.17188/1200018
title: Materials Data on Sr2H6Ru by Materials Project

description: Sr2RuH6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sr2+ is bonded to twelve equivalent H1- atoms to form SrH12 cuboctahedra that share corners with twelve equivalent SrH12 cuboctahedra, faces with six equivalent SrH12 cuboctahedra, and faces with four equivalent RuH6 octahedra. All Sr–H bond lengths are 2.71 Å. Ru2+ is bonded to six equivalent H1- atoms to form RuH6 octahedra that share faces with eight equivalent SrH12 cuboctahedra. All Ru–H bond lengths are 1.72 Å. H1- is bonded to four equivalent Sr2+ and one Ru2+ atom to form a mixture of corner, edge, and face-sharing HSr4Ru square pyramids.
DOI: 10.17188/1200019
title: Materials Data on HgHClO4 by Materials Project

description: HgHO4Cl crystallizes in the orthorhombic Pbcm space group. The structure is one-dimensional and consists of two HgHO4Cl ribbons oriented in the (0, 1, 0) direction. Hg is bonded in a linear geometry to two equivalent O atoms. Both Hg–O bond lengths are 2.11 Å. H is bonded in a single-bond geometry to two O atoms. There is one shorter (1.00 Å) and one longer (1.73 Å) H–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a distorted trigonal non-coplanar geometry to two equivalent Hg and one H atom. In the second O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.50 Å. In the third O site, O is bonded in a distorted bent 120 degrees geometry to one H and one Cl atom. The O–Cl bond length is 1.52 Å. Cl is bonded in a trigonal non-coplanar geometry to three O atoms.
DOI: 10.6084/m9.figshare.13661030
title: GSE155698 Analysis

description: Full code and data to analyze bone marrow single-cell data from 4 healthy donor, dataset GSE155698 (https://www.ncbi.nlm.nih.gov/geo/query/acc.cgi?acc=GSM4710729)<br>
DOI: 10.17188/1200020
title: Materials Data on SrP2(HO)4 by Materials Project

description: SrP2(HO)4 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of two SrP2(HO)4 sheets oriented in the (1, 0, 0) direction. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.65–2.67 Å. P1+ is bonded in a distorted tetrahedral geometry to two H1+ and two O2- atoms. Both P–H bond lengths are 1.42 Å. Both P–O bond lengths are 1.53 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one P1+ atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one P1+ atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Sr2+ and one P1+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Sr2+ and one P1+ atom.
DOI: 10.17188/1200021
title: Materials Data on P2H4PbO4 by Materials Project

description: Pb(H2PO2)2 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of two Pb(H2PO2)2 sheets oriented in the (1, 0, 0) direction. Pb2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pb–O bond distances ranging from 2.68–2.72 Å. P1+ is bonded in a distorted tetrahedral geometry to two H1+ and two O2- atoms. Both P–H bond lengths are 1.42 Å. Both P–O bond lengths are 1.53 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one P1+ atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one P1+ atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to two equivalent Pb2+ and one P1+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to two equivalent Pb2+ and one P1+ atom.
DOI: 10.17188/1200022
title: Materials Data on KC by Materials Project

description: KC1 crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional. K is bonded in a 6-coordinate geometry to six equivalent C atoms. There are four shorter (3.03 Å) and two longer (3.16 Å) K–C bond lengths. C is bonded in a 7-coordinate geometry to six equivalent K and one C atom. The C–C bond length is 1.27 Å.
DOI: 10.17188/1200023
title: Materials Data on ZrGe2 by Materials Project

description: ZrGe2 is Zirconium Disilicide structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Zr is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Zr–Ge bond distances ranging from 2.79–3.14 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 4-coordinate geometry to six equivalent Zr and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.63 Å. In the second Ge site, Ge is bonded in a 8-coordinate geometry to four equivalent Zr and four equivalent Ge atoms. All Ge–Ge bond lengths are 2.71 Å.
DOI: 10.17188/1200024
title: Materials Data on CdAs2HF13 by Materials Project

description: CdAs2HF13 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cd2+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Cd–F bond distances ranging from 2.28–2.44 Å. There are two inequivalent As5+ sites. In the first As5+ site, As5+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of As–F bond distances ranging from 1.73–1.83 Å. In the second As5+ site, As5+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of As–F bond distances ranging from 1.73–1.83 Å. H1+ is bonded in a single-bond geometry to one F1- atom. The H–F bond length is 0.95 Å. There are thirteen inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Cd2+ and one As5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Cd2+ and one H1+ atom. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Cd2+ and one As5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the sixth F1- site, F1- is bonded in a bent 150 degrees geometry to one Cd2+ and one As5+ atom. In the seventh F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the eighth F1- site, F1- is bonded in a bent 120 degrees geometry to one Cd2+ and one As5+ atom. In the ninth F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the tenth F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the eleventh F1- site, F1- is bonded in a bent 120 degrees geometry to one Cd2+ and one As5+ atom. In the twelfth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Cd2+ and one As5+ atom. In the thirteenth F1- site, F1- is bonded in a single-bond geometry to one As5+ atom.
DOI: 10.17188/1200026
title: Materials Data on CdH8C4(S2N3)2 by Materials Project

description: CdC4H8(N3S2)2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one CdC4H8(N3S2)2 ribbon oriented in the (1, 0, 0) direction. Cd2+ is bonded to two equivalent N3- and four equivalent S2- atoms to form distorted edge-sharing CdS4N2 octahedra. Both Cd–N bond lengths are 2.28 Å. There are two shorter (2.76 Å) and two longer (2.89 Å) Cd–S bond lengths. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a distorted trigonal planar geometry to two N3- and one S2- atom. Both C–N bond lengths are 1.33 Å. The C–S bond length is 1.74 Å. In the second C4+ site, C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.19 Å. The C–S bond length is 1.62 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal planar geometry to one C4+ and two H1+ atoms. There is one shorter (1.02 Å) and one longer (1.03 Å) N–H bond length. In the second N3- site, N3- is bonded in a trigonal planar geometry to one C4+ and two H1+ atoms. Both N–H bond lengths are 1.02 Å. In the third N3- site, N3- is bonded in a bent 150 degrees geometry to one Cd2+ and one C4+ atom. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a single-bond geometry to one C4+ atom. In the second S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cd2+ and one C4+ atom.
DOI: 10.17188/1200027
title: Materials Data on AlSiH9C3Cl2O by Materials Project

description: AlSiC3H9OCl2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two AlSiC3H9OCl2 clusters. Al3+ is bonded to two equivalent O2- and two Cl1- atoms to form AlCl2O2 tetrahedra that share corners with two equivalent SiC3O tetrahedra and an edgeedge with one AlCl2O2 tetrahedra. Both Al–O bond lengths are 1.83 Å. Both Al–Cl bond lengths are 2.12 Å. Si4+ is bonded to three C4- and one O2- atom to form SiC3O tetrahedra that share corners with two equivalent AlCl2O2 tetrahedra. All Si–C bond lengths are 1.87 Å. The Si–O bond length is 1.74 Å. There are three inequivalent C4- sites. In the first C4- site, C4- is bonded to one Si4+ and three H1+ atoms to form corner-sharing CSiH3 tetrahedra. All C–H bond lengths are 1.10 Å. In the second C4- site, C4- is bonded to one Si4+ and three H1+ atoms to form corner-sharing CSiH3 tetrahedra. All C–H bond lengths are 1.10 Å. In the third C4- site, C4- is bonded to one Si4+ and three H1+ atoms to form corner-sharing CSiH3 tetrahedra. All C–H bond lengths are 1.10 Å. There are nine inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom. In the ninth H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom. O2- is bonded in a distorted trigonal planar geometry to two equivalent Al3+ and one Si4+ atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Al3+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Al3+ atom.
DOI: 10.17188/1200028
title: Materials Data on ErTl3 by Materials Project

description: ErTl3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Er is bonded to twelve equivalent Tl atoms to form ErTl12 cuboctahedra that share corners with twelve equivalent ErTl12 cuboctahedra, edges with twenty-four equivalent TlEr4Tl8 cuboctahedra, faces with six equivalent ErTl12 cuboctahedra, and faces with twelve equivalent TlEr4Tl8 cuboctahedra. All Er–Tl bond lengths are 3.37 Å. Tl is bonded to four equivalent Er and eight equivalent Tl atoms to form TlEr4Tl8 cuboctahedra that share corners with twelve equivalent TlEr4Tl8 cuboctahedra, edges with eight equivalent ErTl12 cuboctahedra, edges with sixteen equivalent TlEr4Tl8 cuboctahedra, faces with four equivalent ErTl12 cuboctahedra, and faces with fourteen equivalent TlEr4Tl8 cuboctahedra. All Tl–Tl bond lengths are 3.37 Å.
DOI: 10.17188/1200029
title: Materials Data on Sr(H9O5)2 by Materials Project

description: (SrH17O9)2H2O2 crystallizes in the tetragonal P4/ncc space group. The structure is two-dimensional and consists of four water molecules and two SrH17O9 sheets oriented in the (0, 0, 1) direction. In each SrH17O9 sheet, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.66 Å) and four longer (2.68 Å) Sr–O bond lengths. There are five 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 1.00 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the third H1+ site, H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.02 Å) and one longer (1.65 Å) H–O bond length. 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 distorted single-bond geometry to one O2- atom. The H–O bond length is 1.01 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to one Sr2+ and two H1+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to five H1+ atoms. In the third O2- site, O2- is bonded in a water-like geometry to one Sr2+ and two H1+ atoms.
DOI: 10.6073/pasta/7d0faef0a3d31b460fdb7652022f5209
title: Precipitation data for four sites on the eastern side of Delmarva Peninsula, 2001-present

description: Rain gauges (Davis Instruments rain collector with HOBO Event Recorder) were installed at four sites latitudinally along the Eastern Shore, VA to measure instantaneous rainfall. The logger only records when there is a precipitation event (0.2 mm minimum). We calculated daily rain totals and provided only dates with rain. The data represents the time period of 8/9/01 on for Mill, Garg, and Mosq sites and 10/16/01 on for Wach site. The system was down between October 2008 and December 2010. It was replaced by an upgraded system in January 2011 with new Davis tipping-bucket rain gauges and data loggers, and primary responsibility for data collection and processing shifted to VCR/LTER staff. This file will be updated when additional data is downloaded from the rain gauges
DOI: 10.17188/1200030
title: Materials Data on ZnH6(CO3)2 by Materials Project

description: ZnH6(CO3)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Zn–O bond distances ranging from 2.08–2.23 Å. In the second Zn2+ site, Zn2+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Zn–O bond distances ranging from 2.11–2.19 Å. There are two inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a trigonal planar geometry to one H1+ and two O2- atoms. The C–H bond length is 1.11 Å. There is one shorter (1.27 Å) and one longer (1.28 Å) C–O bond length. In the second C2+ site, C2+ is bonded in a trigonal planar geometry to one H1+ and two O2- atoms. The C–H bond length is 1.10 Å. Both C–O bond lengths are 1.27 Å. There are six 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 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to two O2- atoms. There is one shorter (1.00 Å) and one longer (1.72 Å) H–O bond length. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one C2+ atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one C2+ atom. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to one Zn2+ and two H1+ atoms. In the second O2- site, O2- is bonded in a distorted water-like geometry to one Zn2+ and two H1+ atoms. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Zn2+ and one C2+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Zn2+ and one C2+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one Zn2+, one C2+, and one H1+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to one Zn2+ and one C2+ atom.
DOI: 10.17188/1200031
title: Materials Data on CdP2(HO)4 by Materials Project

description: CdP2(HO)4 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of two CdP2(HO)4 sheets oriented in the (1, 0, 0) direction. Cd2+ is bonded to six O2- atoms to form distorted CdO6 octahedra that share corners with six equivalent PH2O2 tetrahedra and edges with two equivalent CdO6 octahedra. There are a spread of Cd–O bond distances ranging from 2.27–2.38 Å. P1+ is bonded to two H1+ and two O2- atoms to form distorted PH2O2 tetrahedra that share corners with three equivalent CdO6 octahedra. The corner-sharing octahedra tilt angles range from 36–56°. Both P–H bond lengths are 1.42 Å. There is one shorter (1.52 Å) and one longer (1.54 Å) P–O bond length. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one P1+ atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one P1+ atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Cd2+ and one P1+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Cd2+ and one P1+ atom.