cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1285038
title: Materials Data on RbBe2F5 by Materials Project

description: RbBe2F5 crystallizes in the triclinic P1 space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Rb–F bond distances ranging from 2.84–3.32 Å. There are two inequivalent Be2+ sites. In the first Be2+ site, Be2+ is bonded to four F1- atoms to form corner-sharing BeF4 tetrahedra. There are a spread of Be–F bond distances ranging from 1.51–1.59 Å. In the second Be2+ site, Be2+ is bonded to four F1- atoms to form corner-sharing BeF4 tetrahedra. There are a spread of Be–F bond distances ranging from 1.51–1.59 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to three equivalent Rb1+ and one Be2+ atom. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to two Be2+ atoms. In the third F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one Rb1+ and two Be2+ atoms. In the fourth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Rb1+ and two Be2+ atoms. In the fifth F1- site, F1- is bonded in a distorted single-bond geometry to three equivalent Rb1+ and one Be2+ atom.
DOI: 10.17188/1285039
title: Materials Data on CaCO3 by Materials Project

description: CaCO3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional and consists of four formaldehyde molecules and one CaO2 framework. In the CaO2 framework, Ca2+ is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. There are two shorter (2.43 Å) and two longer (2.44 Å) Ca–O bond lengths. O2- is bonded in a 3-coordinate geometry to two equivalent Ca2+ and one O2- atom. The O–O bond length is 1.47 Å.
DOI: 10.17188/1285040
title: Materials Data on PH2NO4 by Materials Project

description: N2(H2PO4)2 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional and consists of four ammonia molecules and one H2PO4 framework. In the H2PO4 framework, P5+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All P–O bond lengths are 1.55 Å. H1+ is bonded in a linear geometry to two equivalent O2- atoms. Both H–O bond lengths are 1.20 Å. O2- is bonded in a bent 120 degrees geometry to one P5+ and one H1+ atom.
DOI: 10.23641/asha.13641275
title: Speech perception, vocabulary, and PA in SSD (Benway et al., 2021)

description: <b>Purpose: </b>Prior studies report conflicting descriptions of the relationships between phonological awareness (PA), vocabulary, and speech perception in preschoolers with speech disorders. This study sought to determine the nature of these relationships in a sample of school-aged children with residual speech sound errors affecting /ɹ/.<b>Method: </b>Participants included 110 children aged 7;0–17;4 (years;months) with residual errors impacting /ɹ/. Data on perceptual acuity and perceptual bias in an /ɹ/ identification task, receptive vocabulary, and PA were obtained. A theoretically and empirically motivated path model was constructed with vocabulary mediating the relationship between two measures of speech perception and PA. Model parameters were determined through maximum likelihood estimation with standard errors that were robust to nonnormality. Monte Carlo simulation was used to examine achieved power at the current sample size.<b>Results: </b>The saturated path model explained 19% of the variance in PA. The direct path between age-adjusted perceptual acuity and PA was significant, as was the direct path between vocabulary and PA. Contrary to our hypothesis, there was no evidence in the current sample that vocabulary skill mediated the relationship between speech perception and PA. Each individual path was adequately powered at the current sample size. <b>Conclusions: </b>The overall model provided evidence for a continued relationship between speech perception, measured by perceptual acuity of the sound in error, and PA in school-aged children with residual speech errors. Thus, measures of speech perception remain relevant to the assessment of school-aged children and adolescents in this population.<br><b>Supplemental Material S1. </b>Normality statistics for variables entered into the model.<br><b>Supplemental Material S2. </b>Parameter estimates generated by the model and empirical power analysis. <br>Benway, N. R., Garcia, K., Hitchcock, E., McAllister, T., Leece, M. C., Wang, Q., & Preston, J. L. (2021). Associations between speech perception, vocabulary, and phonological awareness skill in school-aged children with speech sound disorders. <i>Journal of Speech, Language, and Hearing Research.</i> Advance online publication. https://doi.org/10.1044/2020_JSLHR-20-00356
DOI: 10.17188/1285042
title: Materials Data on KP(HO2)2 by Materials Project

description: KH2PO4 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are four shorter (2.91 Å) and four longer (2.92 Å) K–O bond lengths. P5+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All P–O bond lengths are 1.56 Å. H1+ is bonded in a linear geometry to two equivalent O2- atoms. Both H–O bond lengths are 1.21 Å. O2- is bonded in a distorted bent 120 degrees geometry to two equivalent K1+, one P5+, and one H1+ atom.
DOI: 10.17188/1285043
title: Materials Data on TlP2H5O8 by Materials Project

description: TlP2H5O8 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Tl1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (2.94 Å) and two longer (3.00 Å) Tl–O bond lengths. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.53–1.59 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.02 Å) and one longer (1.61 Å) H–O bond length. In the second H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.04 Å) and one longer (1.51 Å) H–O bond length. In the third H1+ site, H1+ is bonded in a linear geometry to two equivalent O2- atoms. Both H–O bond lengths are 1.20 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one P5+ and two H1+ atoms. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one P5+ and one H1+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Tl1+, one P5+, and one H1+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one Tl1+, one P5+, and one H1+ atom.
DOI: 10.23641/asha.13641275.v1
title: Speech perception, vocabulary, and PA in SSD (Benway et al., 2021)

description: <b>Purpose: </b>Prior studies report conflicting descriptions of the relationships between phonological awareness (PA), vocabulary, and speech perception in preschoolers with speech disorders. This study sought to determine the nature of these relationships in a sample of school-aged children with residual speech sound errors affecting /ɹ/.<b>Method: </b>Participants included 110 children aged 7;0–17;4 (years;months) with residual errors impacting /ɹ/. Data on perceptual acuity and perceptual bias in an /ɹ/ identification task, receptive vocabulary, and PA were obtained. A theoretically and empirically motivated path model was constructed with vocabulary mediating the relationship between two measures of speech perception and PA. Model parameters were determined through maximum likelihood estimation with standard errors that were robust to nonnormality. Monte Carlo simulation was used to examine achieved power at the current sample size.<b>Results: </b>The saturated path model explained 19% of the variance in PA. The direct path between age-adjusted perceptual acuity and PA was significant, as was the direct path between vocabulary and PA. Contrary to our hypothesis, there was no evidence in the current sample that vocabulary skill mediated the relationship between speech perception and PA. Each individual path was adequately powered at the current sample size. <b>Conclusions: </b>The overall model provided evidence for a continued relationship between speech perception, measured by perceptual acuity of the sound in error, and PA in school-aged children with residual speech errors. Thus, measures of speech perception remain relevant to the assessment of school-aged children and adolescents in this population.<br><b>Supplemental Material S1. </b>Normality statistics for variables entered into the model.<br><b>Supplemental Material S2. </b>Parameter estimates generated by the model and empirical power analysis. <br>Benway, N. R., Garcia, K., Hitchcock, E., McAllister, T., Leece, M. C., Wang, Q., & Preston, J. L. (2021). Associations between speech perception, vocabulary, and phonological awareness skill in school-aged children with speech sound disorders. <i>Journal of Speech, Language, and Hearing Research.</i> Advance online publication. https://doi.org/10.1044/2020_JSLHR-20-00356
DOI: 10.17188/1285044
title: Materials Data on BaAl3P2(HO7)2 by Materials Project

description: BaAl3P2(HO7)2 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. Ba is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of Ba–O bond distances ranging from 2.73–2.99 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded to six O atoms to form distorted AlO6 octahedra that share corners with four equivalent AlO6 octahedra and corners with two PO4 tetrahedra. The corner-sharing octahedral tilt angles are 36°. There is four shorter (1.86 Å) and two longer (1.89 Å) Al–O bond length. In the second Al site, Al is bonded to six O atoms to form AlO6 octahedra that share corners with four AlO6 octahedra and corners with two PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 36–60°. There are a spread of Al–O bond distances ranging from 1.88–1.93 Å. There are two inequivalent P sites. In the first P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with three AlO6 octahedra. The corner-sharing octahedra tilt angles range from 48–53°. There is one shorter (1.52 Å) and three longer (1.57 Å) P–O bond length. In the second P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with three AlO6 octahedra. The corner-sharing octahedra tilt angles range from 48–53°. There is one shorter (1.52 Å) and three longer (1.57 Å) P–O bond length. H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.99 Å. There are ten inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one P atom. In the second O site, O is bonded in a single-bond geometry to one P atom. In the third O site, O is bonded in a 2-coordinate geometry to one Ba, one Al, and one P atom. In the fourth O site, O is bonded in a 2-coordinate geometry to one Ba, one Al, and one P atom. In the fifth O site, O is bonded in a distorted bent 120 degrees geometry to one Ba, one Al, and one P atom. In the sixth O site, O is bonded in a distorted bent 120 degrees geometry to one Ba, one Al, and one P atom. In the seventh O site, O is bonded in a distorted trigonal planar geometry to two equivalent Al and one H atom. In the eighth O site, O is bonded in a distorted trigonal planar geometry to two equivalent Al and one H atom. The O–H bond length is 0.99 Å. In the ninth O site, O is bonded in a 2-coordinate geometry to one Ba, two Al, and one O atom. The O–O bond length is 1.54 Å. In the tenth O site, O is bonded in a 2-coordinate geometry to one Ba, two Al, and one O atom. The O–O bond length is 1.54 Å.
DOI: 10.17188/1285045
title: Materials Data on RbHSeO4 by Materials Project

description: RbHSeO4 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Rb1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Rb–O bond distances ranging from 2.96–3.36 Å. H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.03 Å) and one longer (1.57 Å) H–O bond length. Se6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Se–O bond distances ranging from 1.65–1.78 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one Se6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Rb1+ and one Se6+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Rb1+, one H1+, and one Se6+ atom. In the fourth O2- site, O2- is bonded in a distorted water-like geometry to two equivalent Rb1+, one H1+, and one Se6+ atom.
DOI: 10.17188/1285046
title: Materials Data on Cu2H3NO6 by Materials Project

description: Cu2(OH)3NO3 crystallizes in the monoclinic P2_1 space group. The structure is two-dimensional and consists of two water molecules and one Cu2NHO5 sheet oriented in the (0, 0, 1) direction. In the Cu2NHO5 sheet, there are two inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Cu–O bond distances ranging from 1.79–1.86 Å. In the second Cu2+ site, Cu2+ is bonded to five O2- atoms to form distorted edge-sharing CuO5 square pyramids. There are a spread of Cu–O bond distances ranging from 1.88–2.50 Å. N5+ is bonded in a trigonal planar geometry to one H1+ and two O2- atoms. The N–H bond length is 1.06 Å. There is one shorter (1.23 Å) and one longer (1.24 Å) N–O bond length. H1+ is bonded in a single-bond geometry to one N5+ atom. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to two equivalent Cu2+ atoms. In the second O2- site, O2- is bonded in a trigonal planar geometry to three Cu2+ atoms. In the third O2- site, O2- is bonded in a trigonal planar geometry to three Cu2+ atoms. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Cu2+ and one N5+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one N5+ atom.
DOI: 10.17188/1285047
title: Materials Data on HSeNO4 by Materials Project

description: N2(HSeO4)2 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is one-dimensional and consists of four ammonia molecules and four HSeO4 ribbons oriented in the (1, 0, 0) direction. In each HSeO4 ribbon, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.03 Å) and one longer (1.56 Å) H–O bond length. Se4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Se–O bond distances ranging from 1.65–1.74 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Se4+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Se4+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one H1+ and one Se4+ atom. In the fourth O2- site, O2- is bonded in a distorted water-like geometry to one H1+ and one Se4+ atom.
DOI: 10.17188/1285048
title: Materials Data on Cs2KCuF6 by Materials Project

description: Cs2KCuF6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent F1- atoms to form CsF12 cuboctahedra that share corners with twelve equivalent CsF12 cuboctahedra, faces with six equivalent CsF12 cuboctahedra, faces with four equivalent KF6 octahedra, and faces with four equivalent CuF6 octahedra. All Cs–F bond lengths are 3.24 Å. K1+ is bonded to six equivalent F1- atoms to form KF6 octahedra that share corners with six equivalent CuF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All K–F bond lengths are 2.61 Å. Cu3+ is bonded to six equivalent F1- atoms to form CuF6 octahedra that share corners with six equivalent KF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cu–F bond lengths are 1.95 Å. F1- is bonded in a distorted linear geometry to four equivalent Cs1+, one K1+, and one Cu3+ atom.
DOI: 10.17188/1285049
title: Materials Data on RbHS by Materials Project

description: RbSH crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Rb1+ is bonded in a 6-coordinate geometry to three equivalent H1+ and six equivalent S2- atoms. All Rb–H bond lengths are 3.14 Å. There are a spread of Rb–S bond distances ranging from 3.44–3.56 Å. H1+ is bonded in a single-bond geometry to three equivalent Rb1+ and one S2- atom. The H–S bond length is 1.35 Å. S2- is bonded in a distorted single-bond geometry to six equivalent Rb1+ and one H1+ atom.
DOI: 10.17188/1285050
title: Materials Data on H2S by Materials Project

description: H2S is alpha U structured and crystallizes in the orthorhombic Pbcm space group. The structure is zero-dimensional and consists of eight hydrogen sulfide molecules. H1+ is bonded in a single-bond geometry to one S2- atom. The H–S bond length is 1.36 Å. S2- is bonded in an L-shaped geometry to two equivalent H1+ atoms.
DOI: 10.17188/1285051
title: Materials Data on BaH4(BrO)2 by Materials Project

description: BaH4(OBr)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ba2+ is bonded in a 10-coordinate geometry to four equivalent O2- and six equivalent Br1- atoms. There are two shorter (2.83 Å) and two longer (2.94 Å) Ba–O bond lengths. There are a spread of Ba–Br bond distances ranging from 3.42–3.57 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 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. O2- is bonded in a water-like geometry to two equivalent Ba2+ and two H1+ atoms. Br1- is bonded in a 1-coordinate geometry to three equivalent Ba2+ atoms.
DOI: 10.17188/1285052
title: Materials Data on B3H7N by Materials Project

description: B3NH7 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four B3NH7 clusters. there are three inequivalent B1- sites. In the first B1- site, B1- is bonded to one N2- and three H+0.71+ atoms to form distorted BH3N tetrahedra that share a cornercorner with one BH4 tetrahedra and an edgeedge with one BH3N tetrahedra. The B–N bond length is 1.49 Å. There are a spread of B–H bond distances ranging from 1.20–1.38 Å. In the second B1- site, B1- is bonded to four H+0.71+ atoms to form corner-sharing BH4 tetrahedra. There are a spread of B–H bond distances ranging from 1.19–1.33 Å. In the third B1- site, B1- is bonded to one N2- and three H+0.71+ atoms to form distorted BH3N tetrahedra that share a cornercorner with one BH4 tetrahedra and an edgeedge with one BH3N tetrahedra. The B–N bond length is 1.48 Å. There are a spread of B–H bond distances ranging from 1.20–1.38 Å. N2- is bonded in a 2-coordinate geometry to two B1- atoms. There are seven inequivalent H+0.71+ sites. In the first H+0.71+ site, H+0.71+ is bonded in a water-like geometry to two B1- atoms. In the second H+0.71+ site, H+0.71+ is bonded in a single-bond geometry to one B1- atom. In the third H+0.71+ site, H+0.71+ is bonded in a distorted L-shaped geometry to two B1- atoms. In the fourth H+0.71+ site, H+0.71+ is bonded in a single-bond geometry to one B1- atom. In the fifth H+0.71+ site, H+0.71+ is bonded in a water-like geometry to two B1- atoms. In the sixth H+0.71+ site, H+0.71+ is bonded in a single-bond geometry to one B1- atom. In the seventh H+0.71+ site, H+0.71+ is bonded in a single-bond geometry to one B1- atom.
DOI: 10.17188/1285053
title: Materials Data on AlH4NF4 by Materials Project

description: NH4AlF4 crystallizes in the tetragonal P4_2/mbc space group. The structure is two-dimensional and consists of four ammonium molecules and two AlF4 sheets oriented in the (0, 0, 1) direction. In each AlF4 sheet, Al3+ is bonded to six F1- atoms to form corner-sharing AlF6 octahedra. The corner-sharing octahedral tilt angles are 21°. There is two shorter (1.81 Å) and four longer (1.84 Å) Al–F bond length. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Al3+ atom. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Al3+ atoms.
DOI: 10.17188/1285054
title: Materials Data on LiNO3 by Materials Project

description: LiNO3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Li1+ is bonded in a 6-coordinate geometry to two equivalent N5+ and four equivalent O2- atoms. Both Li–N bond lengths are 1.90 Å. There are two shorter (2.01 Å) and two longer (2.11 Å) Li–O bond lengths. N5+ is bonded in a distorted single-bond geometry to two equivalent Li1+ and one O2- atom. The N–O bond length is 1.15 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Li1+ and one O2- atom. The O–O bond length is 1.34 Å. In the second O2- site, O2- is bonded in a single-bond geometry to one N5+ atom.
DOI: 10.17188/1285055
title: Materials Data on NaH3(SeO3)2 by Materials Project

description: NaH3(SeO3)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Na1+ is bonded in a distorted octahedral geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.38–2.64 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a linear geometry to two equivalent O2- atoms. Both H–O bond lengths are 1.22 Å. In the second H1+ site, H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.03 Å) and one longer (1.60 Å) H–O bond length. Se4+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.68–1.83 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one H1+, and one Se4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Na1+, one H1+, and one Se4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Na1+, one H1+, and one Se4+ atom.
DOI: 10.17188/1285056
title: Materials Data on MgH12(ClO3)2 by Materials Project

description: MgCl2(H2O)6 crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of four hydrochloric acid molecules and two magnesium;hexahydrate molecules.