Lotharmeyerite, Ca(Zn,Mn) 2(AsO 4)2-(H 2O,OH) 2

Yongbo W. Yang, Stanley H. Evans, Robert T Downs, Hexiong Yang

Research output: Contribution to journalArticle

Abstract

Lotharmeyerite, calcium bis(zinc/manganese) bis(arsenate) bis(hydroxide/hydrate), Ca(Zn,Mn 3+) 2(AsO 4) 2(H 2O,OH) 2, is a member of the natrochalcite group of minerals, which are characterized by the general formula AM 2(XO 4) 2(H 2O,OH) 2, where A may be occupied by Pb 2+, Ca 2+, Na +, and Bi 3+, M by Fe 3+, Mn 3+, Cu 2+, Zn 2+, Co 2+, Ni 2+, Al 3+, and Mg 2+, and X by P V, As V, V V, and S VI. The minerals in the group display either monoclinic or triclinic symmetry, depending on the ordering of chemical components in the M site. Based on single-crystal X-ray diffraction data of a sample from the type locality, Mapimi, Durango, Mexico, this study presents the first structure determination of lotharmeyerite. Lotharmeyerite is isostructural with natrochalcite and tsumcorite. The structure is composed of rutile-type chains of edge-shared MO 6 octahedra (site symmetry 1̄) extending along [010], which are interconnected by XO 4 tetrahedra (site symmetry 2) and hydrogen bonds to form [M 2(XO 4) 2(OH,H 2O) 2] sheets parallel to (001). These sheets are linked by the larger A cations (site symmetry 2/m), as well as by hydrogen bonds. Bond-valence sums for the M cation, calculated with the parameters for Mn 3+ and Mn 2+ are 2.72 and 2.94 v.u., respectively, consistent with the occupation of the M site by Mn 3+. Two distinct hydrogen bonds are present, one with O···O = 2.610(4) Å and the other O···O = 2.595(3) Å. One of the H-atom positions is disordered over two sites with 50% occupancy, in agreement with observations for other natrochalcite-type minerals, such as natrochalcite and tsumcorite.

Original languageEnglish (US)
JournalActa Crystallographica Section E: Structure Reports Online
Volume68
Issue number1
DOIs
StatePublished - Jan 2012

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Minerals
Hydrogen bonds
Cations
minerals
symmetry
hydrogen bonds
Positive ions
Manganese
Hydrates
cations
arsenates
Zinc
Calcium
Mexico
Display devices
Single crystals
tetrahedrons
hydrates
rutile
occupation

Keywords

  • Data-to-parameter ratio = 15.1
  • Disorder in main residue
  • Mean σ(As-O) = 0.002 Å
  • R factor = 0.019
  • Single-crystal X-ray study
  • T = 293 K
  • wR factor = 0.045

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Materials Science(all)
  • Chemistry(all)

Cite this

Lotharmeyerite, Ca(Zn,Mn) 2(AsO 4)2-(H 2O,OH) 2 . / Yang, Yongbo W.; Evans, Stanley H.; Downs, Robert T; Yang, Hexiong.

In: Acta Crystallographica Section E: Structure Reports Online, Vol. 68, No. 1, 01.2012.

Research output: Contribution to journalArticle

Yang, Yongbo W. ; Evans, Stanley H. ; Downs, Robert T ; Yang, Hexiong. / Lotharmeyerite, Ca(Zn,Mn) 2(AsO 4)2-(H 2O,OH) 2 In: Acta Crystallographica Section E: Structure Reports Online. 2012 ; Vol. 68, No. 1.
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abstract = "Lotharmeyerite, calcium bis(zinc/manganese) bis(arsenate) bis(hydroxide/hydrate), Ca(Zn,Mn 3+) 2(AsO 4) 2(H 2O,OH) 2, is a member of the natrochalcite group of minerals, which are characterized by the general formula AM 2(XO 4) 2(H 2O,OH) 2, where A may be occupied by Pb 2+, Ca 2+, Na +, and Bi 3+, M by Fe 3+, Mn 3+, Cu 2+, Zn 2+, Co 2+, Ni 2+, Al 3+, and Mg 2+, and X by P V, As V, V V, and S VI. The minerals in the group display either monoclinic or triclinic symmetry, depending on the ordering of chemical components in the M site. Based on single-crystal X-ray diffraction data of a sample from the type locality, Mapimi, Durango, Mexico, this study presents the first structure determination of lotharmeyerite. Lotharmeyerite is isostructural with natrochalcite and tsumcorite. The structure is composed of rutile-type chains of edge-shared MO 6 octahedra (site symmetry 1̄) extending along [010], which are interconnected by XO 4 tetrahedra (site symmetry 2) and hydrogen bonds to form [M 2(XO 4) 2(OH,H 2O) 2] sheets parallel to (001). These sheets are linked by the larger A cations (site symmetry 2/m), as well as by hydrogen bonds. Bond-valence sums for the M cation, calculated with the parameters for Mn 3+ and Mn 2+ are 2.72 and 2.94 v.u., respectively, consistent with the occupation of the M site by Mn 3+. Two distinct hydrogen bonds are present, one with O···O = 2.610(4) {\AA} and the other O···O = 2.595(3) {\AA}. One of the H-atom positions is disordered over two sites with 50{\%} occupancy, in agreement with observations for other natrochalcite-type minerals, such as natrochalcite and tsumcorite.",
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AU - Evans, Stanley H.

AU - Downs, Robert T

AU - Yang, Hexiong

PY - 2012/1

Y1 - 2012/1

N2 - Lotharmeyerite, calcium bis(zinc/manganese) bis(arsenate) bis(hydroxide/hydrate), Ca(Zn,Mn 3+) 2(AsO 4) 2(H 2O,OH) 2, is a member of the natrochalcite group of minerals, which are characterized by the general formula AM 2(XO 4) 2(H 2O,OH) 2, where A may be occupied by Pb 2+, Ca 2+, Na +, and Bi 3+, M by Fe 3+, Mn 3+, Cu 2+, Zn 2+, Co 2+, Ni 2+, Al 3+, and Mg 2+, and X by P V, As V, V V, and S VI. The minerals in the group display either monoclinic or triclinic symmetry, depending on the ordering of chemical components in the M site. Based on single-crystal X-ray diffraction data of a sample from the type locality, Mapimi, Durango, Mexico, this study presents the first structure determination of lotharmeyerite. Lotharmeyerite is isostructural with natrochalcite and tsumcorite. The structure is composed of rutile-type chains of edge-shared MO 6 octahedra (site symmetry 1̄) extending along [010], which are interconnected by XO 4 tetrahedra (site symmetry 2) and hydrogen bonds to form [M 2(XO 4) 2(OH,H 2O) 2] sheets parallel to (001). These sheets are linked by the larger A cations (site symmetry 2/m), as well as by hydrogen bonds. Bond-valence sums for the M cation, calculated with the parameters for Mn 3+ and Mn 2+ are 2.72 and 2.94 v.u., respectively, consistent with the occupation of the M site by Mn 3+. Two distinct hydrogen bonds are present, one with O···O = 2.610(4) Å and the other O···O = 2.595(3) Å. One of the H-atom positions is disordered over two sites with 50% occupancy, in agreement with observations for other natrochalcite-type minerals, such as natrochalcite and tsumcorite.

AB - Lotharmeyerite, calcium bis(zinc/manganese) bis(arsenate) bis(hydroxide/hydrate), Ca(Zn,Mn 3+) 2(AsO 4) 2(H 2O,OH) 2, is a member of the natrochalcite group of minerals, which are characterized by the general formula AM 2(XO 4) 2(H 2O,OH) 2, where A may be occupied by Pb 2+, Ca 2+, Na +, and Bi 3+, M by Fe 3+, Mn 3+, Cu 2+, Zn 2+, Co 2+, Ni 2+, Al 3+, and Mg 2+, and X by P V, As V, V V, and S VI. The minerals in the group display either monoclinic or triclinic symmetry, depending on the ordering of chemical components in the M site. Based on single-crystal X-ray diffraction data of a sample from the type locality, Mapimi, Durango, Mexico, this study presents the first structure determination of lotharmeyerite. Lotharmeyerite is isostructural with natrochalcite and tsumcorite. The structure is composed of rutile-type chains of edge-shared MO 6 octahedra (site symmetry 1̄) extending along [010], which are interconnected by XO 4 tetrahedra (site symmetry 2) and hydrogen bonds to form [M 2(XO 4) 2(OH,H 2O) 2] sheets parallel to (001). These sheets are linked by the larger A cations (site symmetry 2/m), as well as by hydrogen bonds. Bond-valence sums for the M cation, calculated with the parameters for Mn 3+ and Mn 2+ are 2.72 and 2.94 v.u., respectively, consistent with the occupation of the M site by Mn 3+. Two distinct hydrogen bonds are present, one with O···O = 2.610(4) Å and the other O···O = 2.595(3) Å. One of the H-atom positions is disordered over two sites with 50% occupancy, in agreement with observations for other natrochalcite-type minerals, such as natrochalcite and tsumcorite.

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KW - Disorder in main residue

KW - Mean σ(As-O) = 0.002 Å

KW - R factor = 0.019

KW - Single-crystal X-ray study

KW - T = 293 K

KW - wR factor = 0.045

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