cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1268781
title: Materials Data on KBi6BrO9 by Materials Project

description: KBi6O9Br crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. K1+ is bonded in a distorted body-centered cubic geometry to six equivalent O2- and two equivalent Br1- atoms. All K–O bond lengths are 2.87 Å. Both K–Br bond lengths are 3.79 Å. There are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to four O2- and two equivalent Br1- atoms. There are two shorter (2.17 Å) and two longer (2.28 Å) Bi–O bond lengths. Both Bi–Br bond lengths are 3.67 Å. In the second Bi3+ site, Bi3+ is bonded to five O2- atoms to form distorted corner-sharing BiO5 square pyramids. There are a spread of Bi–O bond distances ranging from 2.14–2.38 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one K1+ and three Bi3+ atoms to form a mixture of distorted edge and corner-sharing OKBi3 trigonal pyramids. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three Bi3+ and one Br1- atom. The O–Br bond length is 3.57 Å. Br1- is bonded in a 11-coordinate geometry to two equivalent K1+, six equivalent Bi3+, and three equivalent O2- atoms.
DOI: 10.17188/1268782
title: Materials Data on SiO2 by Materials Project

description: SiO2 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are four inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form a mixture of edge and corner-sharing SiO4 tetrahedra. There is two shorter (1.65 Å) and two longer (1.67 Å) Si–O bond length. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There is two shorter (1.64 Å) and two longer (1.65 Å) Si–O bond length. In the third Si4+ site, Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There is two shorter (1.64 Å) and two longer (1.65 Å) Si–O bond length. In the fourth Si4+ site, Si4+ is bonded to four O2- atoms to form a mixture of edge and corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.65–1.68 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two Si4+ atoms. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two Si4+ atoms. The O–Si bond length is 1.65 Å. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to two Si4+ atoms. The O–Si bond length is 1.65 Å. In the fourth O2- site, O2- is bonded in an L-shaped geometry to two Si4+ atoms. The O–Si bond length is 1.67 Å. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Si4+ atoms. In the sixth O2- site, O2- is bonded in an L-shaped geometry to two Si4+ atoms. The O–Si bond length is 1.67 Å. In the seventh O2- site, O2- is bonded in an L-shaped geometry to two Si4+ atoms. The O–Si bond length is 1.67 Å. In the eighth O2- site, O2- is bonded in a bent 120 degrees geometry to two Si4+ atoms. In the ninth O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Si4+ atoms. In the tenth O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Si4+ atoms. In the eleventh O2- site, O2- is bonded in an L-shaped geometry to two Si4+ atoms. The O–Si bond length is 1.68 Å. In the twelfth O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Si4+ atoms.
DOI: 10.17188/1268783
title: Materials Data on Mg2PClO4 by Materials Project

description: Mg2PO4Cl crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded in a 6-coordinate geometry to four O2- and two equivalent Cl1- atoms. There are a spread of Mg–O bond distances ranging from 2.02–2.41 Å. There are one shorter (2.45 Å) and one longer (2.69 Å) Mg–Cl bond lengths. In the second Mg2+ site, Mg2+ is bonded to five O2- and one Cl1- atom to form distorted MgClO5 octahedra that share corners with two equivalent MgClO5 octahedra, corners with three equivalent PO4 tetrahedra, and an edgeedge with one PO4 tetrahedra. The corner-sharing octahedral tilt angles are 58°. There are a spread of Mg–O bond distances ranging from 2.03–2.45 Å. The Mg–Cl bond length is 2.65 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three equivalent MgClO5 octahedra and an edgeedge with one MgClO5 octahedra. The corner-sharing octahedra tilt angles range from 49–58°. There is three shorter (1.55 Å) and one longer (1.57 Å) P–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two Mg2+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two Mg2+ and one P5+ atom. In the third O2- site, O2- is bonded in a trigonal planar geometry to two Mg2+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Mg2+ and one P5+ atom. Cl1- is bonded in a distorted trigonal planar geometry to three Mg2+ atoms.
DOI: 10.17188/1268784
title: Materials Data on SrVZnP2O9 (SG:61) by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1268785
title: Materials Data on K3WF6 by Materials Project

description: K3WF6 is (Cubic) Perovskite-like structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to twelve equivalent F1- atoms to form KF12 cuboctahedra that share corners with twelve equivalent KF12 cuboctahedra, faces with six equivalent KF12 cuboctahedra, faces with four equivalent KF6 octahedra, and faces with four equivalent WF6 octahedra. All K–F bond lengths are 3.27 Å. In the second K1+ site, K1+ is bonded to six equivalent F1- atoms to form KF6 octahedra that share corners with six equivalent WF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All K–F bond lengths are 2.51 Å. W3+ is bonded to six equivalent F1- atoms to form WF6 octahedra that share corners with six equivalent KF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All W–F bond lengths are 2.11 Å. F1- is bonded in a distorted linear geometry to five K1+ and one W3+ atom.
DOI: 10.17188/1268787
title: Materials Data on SbS7IF6 by Materials Project

description: (S)6SbSIF6 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is one-dimensional and consists of twenty-four hydrogen sulfide molecules and two SbSIF6 ribbons oriented in the (0, 0, 1) direction. In each SbSIF6 ribbon, Sb5+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Sb–F bond distances ranging from 1.91–1.95 Å. S+0.29+ is bonded in a single-bond geometry to one I1- atom. The S–I bond length is 2.36 Å. I1- is bonded in a 4-coordinate geometry to one S+0.29+ and three F1- atoms. There are a spread of I–F bond distances ranging from 2.87–3.65 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to one Sb5+ and one I1- atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ and one I1- atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ and one I1- atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom.
DOI: 10.17188/1268788
title: Materials Data on Ce3Si2S8I by Materials Project

description: Ce3(SiS4)2I crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded in a 9-coordinate geometry to eight S2- and one I1- atom. There are a spread of Ce–S bond distances ranging from 2.94–3.11 Å. The Ce–I bond length is 3.49 Å. In the second Ce3+ site, Ce3+ is bonded in a 9-coordinate geometry to eight S2- and one I1- atom. There are a spread of Ce–S bond distances ranging from 2.91–3.29 Å. The Ce–I bond length is 3.30 Å. Si4+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Si–S bond distances ranging from 2.12–2.14 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to three Ce3+ and one Si4+ atom. In the second S2- site, S2- is bonded in a 4-coordinate geometry to three Ce3+ and one Si4+ atom. In the third S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Ce3+ and one Si4+ atom. In the fourth S2- site, S2- is bonded in a 1-coordinate geometry to three Ce3+ and one Si4+ atom. I1- is bonded in a 3-coordinate geometry to three Ce3+ atoms.
DOI: 10.17188/1268789
title: Materials Data on ZnS by Materials Project

description: ZnS is Moissanite 9R-like structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are four inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four S2- atoms to form corner-sharing ZnS4 tetrahedra. All Zn–S bond lengths are 2.36 Å. In the second Zn2+ site, Zn2+ is bonded to four S2- atoms to form corner-sharing ZnS4 tetrahedra. All Zn–S bond lengths are 2.36 Å. In the third Zn2+ site, Zn2+ is bonded to four S2- atoms to form corner-sharing ZnS4 tetrahedra. All Zn–S bond lengths are 2.36 Å. In the fourth Zn2+ site, Zn2+ is bonded to four S2- atoms to form corner-sharing ZnS4 tetrahedra. All Zn–S bond lengths are 2.36 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded to four Zn2+ atoms to form corner-sharing SZn4 tetrahedra. In the second S2- site, S2- is bonded to four Zn2+ atoms to form corner-sharing SZn4 tetrahedra. In the third S2- site, S2- is bonded to four Zn2+ atoms to form corner-sharing SZn4 tetrahedra. In the fourth S2- site, S2- is bonded to four Zn2+ atoms to form corner-sharing SZn4 tetrahedra.
DOI: 10.17188/1268790
title: Materials Data on SiO2 by Materials Project

description: SiO2 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Si4+ is bonded to four O2- atoms to form distorted corner-sharing SiO4 trigonal pyramids. There are a spread of Si–O bond distances ranging from 1.61–1.69 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent Si4+ atoms. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Si4+ atoms. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Si4+ atoms. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Si4+ atoms.
DOI: 10.17188/1268791
title: Materials Data on Ba3Sb4O by Materials Project

description: Ba3Sb4O crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a single-bond geometry to eight Sb1- and one O2- atom. There are a spread of Ba–Sb bond distances ranging from 3.61–4.04 Å. The Ba–O bond length is 2.49 Å. In the second Ba2+ site, Ba2+ is bonded in a distorted L-shaped geometry to six Sb1- and two equivalent O2- atoms. There are a spread of Ba–Sb bond distances ranging from 3.70–4.19 Å. There are one shorter (2.53 Å) and one longer (2.59 Å) Ba–O bond lengths. In the third Ba2+ site, Ba2+ is bonded in a single-bond geometry to eight Sb1- and one O2- atom. There are a spread of Ba–Sb bond distances ranging from 3.66–3.85 Å. The Ba–O bond length is 2.52 Å. There are four inequivalent Sb1- sites. In the first Sb1- site, Sb1- is bonded in a 7-coordinate geometry to five Ba2+ and two Sb1- atoms. There are one shorter (2.90 Å) and one longer (2.92 Å) Sb–Sb bond lengths. In the second Sb1- site, Sb1- is bonded in a 7-coordinate geometry to five Ba2+ and two Sb1- atoms. The Sb–Sb bond length is 2.88 Å. In the third Sb1- site, Sb1- is bonded in a 8-coordinate geometry to six Ba2+ and two Sb1- atoms. The Sb–Sb bond length is 3.00 Å. In the fourth Sb1- site, Sb1- is bonded in a 8-coordinate geometry to six Ba2+ and two Sb1- atoms. O2- is bonded to four Ba2+ atoms to form edge-sharing OBa4 tetrahedra.
DOI: 10.5281/zenodo.4479703
title: Replication package for the paper "What do Developers Discuss about Code Comment Conventions"

description: <pre><code class="language-markdown"># RP-commenting-conventions-multiple-sources Replication Package for the paper "What do Developers Discuss about Code Comment Conventions?" ## Structure ``` Appendix.pdf RQ1/ LDA_input/ stackoverfow_raw_dataset.csv LDA_output/ Mallet/ output_csv/ docs-in-topics.csv topic-words.csv topics-in-docs.csv topics-metadata.csv output_html/ all_topics.html Docs/ Topics/ RQ2/ datasource_rawdata/ mailing_lists_selection_criteria.csv quora.csv stackoverflow.csv manual_analysis_output/ stackoverflow_quora_taxonomy.xlsx ``` ## Contents of the Replication Package --- - **Appendix.pdf**- Appendix of the paper containing supplement tables - **RQ1/** - contains the data used to answer RQ1 - **LDA_input/** - input data used for LDA analysis - `stackoverfow_raw_dataset.csv` - stackoverflow questions used to perform LDA analysis - **LDA_output/** - **Mallet/** - contains the LDA output generated by MALLET tool - **output_csv/** - `docs-in-topics.csv` - documents per topic - `topic-words.csv` - most relevant topic words - `topics-in-docs.csv` - topic probability per document - `topics-metadata.csv` - metadata per document and topic probability - **output_html/** - Browsable results of mallet output - `all_topics.html` - `Docs/` - `Topics/` - **RQ2/** - contains the data used to answer RQ2 - **datasource_rawdata/** - contains the raw data for each source - `mailing_lists_selection_criteria.csv` - criteria used to select mailing_lists. - `quora.csv` - contains the processed dataset (like removing HTML tags). To know more about the preprocessing steps, please refer to the reproducibility section in the paper. The data is preprocessed using [Makar](https://github.com/maethub/makar) tool. - `stackoverflow.csv` - contains the processed Stack Overflow dataset. To know more about the preprocessing steps, please refer to the reproducibility section in the paper. The data is preprocessed using [Makar](https://github.com/maethub/makar) tool. - **manual_analysis_output/** - `stackoverflow_quora_taxonomy.xlsx` - contains the classified dataset of Stack Overflow and quora and a description of taxonomy. - `Taxonomy` - contains the description of the first dimension and second dimension categories. Second dimension categories are further divided into levels, separated by `|` symbol. - `stackoverflow-posts` - the questions are labelled relevant or irrelevant and categorized into the first dimension and second dimension categories. - `quota-posts` - the questions are labelled relevant or irrelevant and categorized into the first dimension and second dimension categories. --- </code></pre>
DOI: 10.17188/1268792
title: Materials Data on Na2V3O7 (SG:159) by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1268794
title: Materials Data on Te6As4C3(NF8)3 by Materials Project

description: CN(CNTe)2(Te)2AsTe2F6(AsF6)3 is beta Plutonium-derived structured and crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of four hydrogen cyanide molecules, eight telloy molecules, twelve AsF6 clusters, four AsTe2F6 clusters, and eight CNTe clusters. In each AsF6 cluster, As5+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of As–F bond distances ranging from 1.76–1.79 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In each AsTe2F6 cluster, As5+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of As–F bond distances ranging from 1.75–1.81 Å. Te+0.17+ is bonded in a single-bond geometry to one F1- atom. The Te–F bond length is 2.82 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one As5+ and one Te+0.17+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In each CNTe cluster, C4+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.16 Å. N3- is bonded in a single-bond geometry to one C4+ and one Te+0.17+ atom. The N–Te bond length is 2.90 Å. Te+0.17+ is bonded in a single-bond geometry to one N3- atom.
DOI: 10.17188/1268795
title: Materials Data on NaLiTi3O7 by Materials Project

description: NaLiTi3O7 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 1-coordinate geometry to one O2- atom. The Na–O bond length is 2.31 Å. In the second Na1+ site, Na1+ is bonded in a 1-coordinate geometry to one O2- atom. The Na–O bond length is 2.31 Å. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with ten TiO6 octahedra. The corner-sharing octahedra tilt angles range from 51–65°. There are a spread of Li–O bond distances ranging from 2.02–2.05 Å. There are four inequivalent Ti4+ sites. In the first Ti4+ site, Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with four equivalent LiO4 tetrahedra and edges with six TiO6 octahedra. There is five shorter (1.96 Å) and one longer (1.97 Å) Ti–O bond length. In the second Ti4+ site, Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with three TiO6 octahedra, corners with three equivalent LiO4 tetrahedra, and edges with three TiO6 octahedra. The corner-sharing octahedra tilt angles range from 21–27°. There are a spread of Ti–O bond distances ranging from 1.86–2.11 Å. In the third Ti4+ site, Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with three TiO6 octahedra, corners with three equivalent LiO4 tetrahedra, and edges with three TiO6 octahedra. The corner-sharing octahedra tilt angles range from 21–27°. There are a spread of Ti–O bond distances ranging from 1.86–2.12 Å. In the fourth Ti4+ site, Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with four equivalent LiO4 tetrahedra and edges with six TiO6 octahedra. There is two shorter (1.96 Å) and four longer (1.97 Å) Ti–O bond length. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to three Ti4+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+ and two equivalent Ti4+ atoms. In the third O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Li1+ and three Ti4+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to three Ti4+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+ and two Ti4+ atoms. In the sixth O2- site, O2- is bonded to one Li1+ and three Ti4+ atoms to form distorted corner-sharing OLiTi3 tetrahedra. In the seventh O2- site, O2- is bonded in a distorted T-shaped geometry to three Ti4+ atoms. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+ and two Ti4+ atoms. In the ninth O2- site, O2- is bonded in a 5-coordinate geometry to one Na1+ and two equivalent Ti4+ atoms.
DOI: 10.17188/1268798
title: Materials Data on K2Th(CuS2)2 by Materials Project

description: K2Th(CuS2)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. K1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of K–S bond distances ranging from 3.20–3.43 Å. Th4+ is bonded to six S2- atoms to form ThS6 octahedra that share corners with two equivalent CuS4 tetrahedra, edges with two equivalent ThS6 octahedra, and edges with four equivalent CuS4 tetrahedra. There are two shorter (2.78 Å) and four longer (2.80 Å) Th–S bond lengths. Cu1+ is bonded to four S2- atoms to form CuS4 tetrahedra that share a cornercorner with one ThS6 octahedra, corners with two equivalent CuS4 tetrahedra, edges with two equivalent ThS6 octahedra, and edges with two equivalent CuS4 tetrahedra. The corner-sharing octahedral tilt angles are 55°. There are one shorter (2.36 Å) and three longer (2.42 Å) Cu–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 7-coordinate geometry to four equivalent K1+, two equivalent Th4+, and one Cu1+ atom. In the second S2- site, S2- is bonded in a 7-coordinate geometry to three equivalent K1+, one Th4+, and three equivalent Cu1+ atoms.
DOI: 10.17188/1268799
title: Materials Data on Sr5(ReO6)2 by Materials Project

description: Sr5Re2O12 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. there are four inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.53–2.85 Å. In the second Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.53–2.73 Å. In the third Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.53–2.78 Å. In the fourth Sr2+ site, Sr2+ is bonded to six equivalent O2- atoms to form distorted SrO6 pentagonal pyramids that share edges with three equivalent ReO6 octahedra. All Sr–O bond lengths are 2.46 Å. There are three inequivalent Re7+ sites. In the first Re7+ site, Re7+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Re–O bond lengths are 1.91 Å. In the second Re7+ site, Re7+ is bonded in an octahedral geometry to six O2- atoms. There is three shorter (1.87 Å) and three longer (1.95 Å) Re–O bond length. In the third Re7+ site, Re7+ is bonded to six O2- atoms to form ReO6 octahedra that share an edgeedge with one SrO6 pentagonal pyramid. There are a spread of Re–O bond distances ranging from 1.85–1.98 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded to three Sr2+ and one Re7+ atom to form a mixture of distorted edge and corner-sharing OSr3Re tetrahedra. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Sr2+ and one Re7+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to four Sr2+ and one Re7+ atom. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to four Sr2+ and one Re7+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to three Sr2+ and one Re7+ atom. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+ and one Re7+ atom.