Crystal structure of uchucchacuaite, AgMnPb3Sb5S 12, and its relationship with ramdohrite and fzélyite

H. Yang, Robert T Downs, S. H. Evans, M. N. Feinglos, K. T. Tait

Research output: Contribution to journalArticle

11 Citations (Scopus)

Abstract

Uchucchacuaite, ideally AgMnPb3Sb5S12, was originally reported as orthorhombic, with possible space group Pmmm, P222, or Pmm2, and unit-cell parameters a = 12.67, b = 19.32, and c = 4.38 Å obtained from powder X-ray diffraction data (Moëlo et al. 1984a). Using single-crystal X-ray diffraction, we examined two uchucchacuaite samples, one from the type locality, Uchucchacua, Peru, and the other from Hokkaido, Japan (designated as R100213 and R070760, respectively). Our results show that uchucchacuaite is isostructural with ramdohrite and fizélyite, with monoclinic symmetry (P21/n) and the unit-cell parameters a = 19.3645(11), b = 12.7287(8), c = 8.7571(6) Å, β = 90.059(3)° for R100213 and a = 19.3462(7), b = 12.7251(5), c = 8.7472(3) Å, β = 90.017(2)° for R070760. Both samples are pervasively twinned and the twin refinements yielded the final R1 factors of 0.037 and 0.031 for R100213 and R070760, respectively. The chemical compositions determined from electron microprobe analysis are Ag0.99(Mn0.92Pb 0.03Sb0.02Bi0.01)Σ=0.98 Pb3.00Sb5. 00S12.00 for R100213 and Ag 1.00(Mn0.82Sb0.11Ag0.04Bi 0.02)Σ=0.99Pb2.98vSb5.00S 12.00 for R070760. The key structural difference among uchucchacuaite, ramdohrite, and fizélyite lies in the cations occupying the M2 site, which can be expressed with a general structural formula as Ag(M2+2yAg1/2-ySb1/2-y)Pb 3Sb5S12, where M2+ represents divalent cations with 0 ≤ y ≤ 1/2. From the current list of IMA-defined minerals, we consider M = Cd with y = 0.125 for ramdohrite, M = Pb with y = 0.25 for fizélyite, and M = Mn with y = 0.5 for uchucchacuaite. Associated with the variation in the average M2 cation size from fizélyite (1.078 Å) to ramdohrite (0.955 Å) and uchucchacuaite (0.83 Å) is the significant decrease in the average M2-S bond distance from 2.917 to 2.834, and 2.654 Å, respectively, as well as corresponding variations in the unit-cell b dimension from ∼13.23 to 13.06 and 12.73 Å.

Original languageEnglish (US)
Pages (from-to)1186-1189
Number of pages4
JournalAmerican Mineralogist
Volume96
Issue number7
DOIs
StatePublished - Jul 2011

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crystal structure
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cation
Crystal structure
cations
Divalent Cations
Electron probe microanalysis
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X-ray diffraction
X ray powder diffraction
Minerals
Peru
Single crystals
type locality
diffraction
X ray diffraction
electron probe analysis
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symmetry
Japan

Keywords

  • Andorite series
  • Crystal structure
  • Fizélyite
  • Ramdohrite
  • Single-crystal X-ray diffraction
  • Sulfosalts
  • Uchucchacuaite

ASJC Scopus subject areas

  • Geochemistry and Petrology
  • Geophysics

Cite this

Crystal structure of uchucchacuaite, AgMnPb3Sb5S 12, and its relationship with ramdohrite and fzélyite. / Yang, H.; Downs, Robert T; Evans, S. H.; Feinglos, M. N.; Tait, K. T.

In: American Mineralogist, Vol. 96, No. 7, 07.2011, p. 1186-1189.

Research output: Contribution to journalArticle

Yang, H. ; Downs, Robert T ; Evans, S. H. ; Feinglos, M. N. ; Tait, K. T. / Crystal structure of uchucchacuaite, AgMnPb3Sb5S 12, and its relationship with ramdohrite and fzélyite. In: American Mineralogist. 2011 ; Vol. 96, No. 7. pp. 1186-1189.
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title = "Crystal structure of uchucchacuaite, AgMnPb3Sb5S 12, and its relationship with ramdohrite and fz{\'e}lyite",
abstract = "Uchucchacuaite, ideally AgMnPb3Sb5S12, was originally reported as orthorhombic, with possible space group Pmmm, P222, or Pmm2, and unit-cell parameters a = 12.67, b = 19.32, and c = 4.38 {\AA} obtained from powder X-ray diffraction data (Mo{\"e}lo et al. 1984a). Using single-crystal X-ray diffraction, we examined two uchucchacuaite samples, one from the type locality, Uchucchacua, Peru, and the other from Hokkaido, Japan (designated as R100213 and R070760, respectively). Our results show that uchucchacuaite is isostructural with ramdohrite and fiz{\'e}lyite, with monoclinic symmetry (P21/n) and the unit-cell parameters a = 19.3645(11), b = 12.7287(8), c = 8.7571(6) {\AA}, β = 90.059(3)° for R100213 and a = 19.3462(7), b = 12.7251(5), c = 8.7472(3) {\AA}, β = 90.017(2)° for R070760. Both samples are pervasively twinned and the twin refinements yielded the final R1 factors of 0.037 and 0.031 for R100213 and R070760, respectively. The chemical compositions determined from electron microprobe analysis are Ag0.99(Mn0.92Pb 0.03Sb0.02Bi0.01)Σ=0.98 Pb3.00Sb5. 00S12.00 for R100213 and Ag 1.00(Mn0.82Sb0.11Ag0.04Bi 0.02)Σ=0.99Pb2.98vSb5.00S 12.00 for R070760. The key structural difference among uchucchacuaite, ramdohrite, and fiz{\'e}lyite lies in the cations occupying the M2 site, which can be expressed with a general structural formula as Ag(M2+2yAg1/2-ySb1/2-y)Pb 3Sb5S12, where M2+ represents divalent cations with 0 ≤ y ≤ 1/2. From the current list of IMA-defined minerals, we consider M = Cd with y = 0.125 for ramdohrite, M = Pb with y = 0.25 for fiz{\'e}lyite, and M = Mn with y = 0.5 for uchucchacuaite. Associated with the variation in the average M2 cation size from fiz{\'e}lyite (1.078 {\AA}) to ramdohrite (0.955 {\AA}) and uchucchacuaite (0.83 {\AA}) is the significant decrease in the average M2-S bond distance from 2.917 to 2.834, and 2.654 {\AA}, respectively, as well as corresponding variations in the unit-cell b dimension from ∼13.23 to 13.06 and 12.73 {\AA}.",
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TY - JOUR

T1 - Crystal structure of uchucchacuaite, AgMnPb3Sb5S 12, and its relationship with ramdohrite and fzélyite

AU - Yang, H.

AU - Downs, Robert T

AU - Evans, S. H.

AU - Feinglos, M. N.

AU - Tait, K. T.

PY - 2011/7

Y1 - 2011/7

N2 - Uchucchacuaite, ideally AgMnPb3Sb5S12, was originally reported as orthorhombic, with possible space group Pmmm, P222, or Pmm2, and unit-cell parameters a = 12.67, b = 19.32, and c = 4.38 Å obtained from powder X-ray diffraction data (Moëlo et al. 1984a). Using single-crystal X-ray diffraction, we examined two uchucchacuaite samples, one from the type locality, Uchucchacua, Peru, and the other from Hokkaido, Japan (designated as R100213 and R070760, respectively). Our results show that uchucchacuaite is isostructural with ramdohrite and fizélyite, with monoclinic symmetry (P21/n) and the unit-cell parameters a = 19.3645(11), b = 12.7287(8), c = 8.7571(6) Å, β = 90.059(3)° for R100213 and a = 19.3462(7), b = 12.7251(5), c = 8.7472(3) Å, β = 90.017(2)° for R070760. Both samples are pervasively twinned and the twin refinements yielded the final R1 factors of 0.037 and 0.031 for R100213 and R070760, respectively. The chemical compositions determined from electron microprobe analysis are Ag0.99(Mn0.92Pb 0.03Sb0.02Bi0.01)Σ=0.98 Pb3.00Sb5. 00S12.00 for R100213 and Ag 1.00(Mn0.82Sb0.11Ag0.04Bi 0.02)Σ=0.99Pb2.98vSb5.00S 12.00 for R070760. The key structural difference among uchucchacuaite, ramdohrite, and fizélyite lies in the cations occupying the M2 site, which can be expressed with a general structural formula as Ag(M2+2yAg1/2-ySb1/2-y)Pb 3Sb5S12, where M2+ represents divalent cations with 0 ≤ y ≤ 1/2. From the current list of IMA-defined minerals, we consider M = Cd with y = 0.125 for ramdohrite, M = Pb with y = 0.25 for fizélyite, and M = Mn with y = 0.5 for uchucchacuaite. Associated with the variation in the average M2 cation size from fizélyite (1.078 Å) to ramdohrite (0.955 Å) and uchucchacuaite (0.83 Å) is the significant decrease in the average M2-S bond distance from 2.917 to 2.834, and 2.654 Å, respectively, as well as corresponding variations in the unit-cell b dimension from ∼13.23 to 13.06 and 12.73 Å.

AB - Uchucchacuaite, ideally AgMnPb3Sb5S12, was originally reported as orthorhombic, with possible space group Pmmm, P222, or Pmm2, and unit-cell parameters a = 12.67, b = 19.32, and c = 4.38 Å obtained from powder X-ray diffraction data (Moëlo et al. 1984a). Using single-crystal X-ray diffraction, we examined two uchucchacuaite samples, one from the type locality, Uchucchacua, Peru, and the other from Hokkaido, Japan (designated as R100213 and R070760, respectively). Our results show that uchucchacuaite is isostructural with ramdohrite and fizélyite, with monoclinic symmetry (P21/n) and the unit-cell parameters a = 19.3645(11), b = 12.7287(8), c = 8.7571(6) Å, β = 90.059(3)° for R100213 and a = 19.3462(7), b = 12.7251(5), c = 8.7472(3) Å, β = 90.017(2)° for R070760. Both samples are pervasively twinned and the twin refinements yielded the final R1 factors of 0.037 and 0.031 for R100213 and R070760, respectively. The chemical compositions determined from electron microprobe analysis are Ag0.99(Mn0.92Pb 0.03Sb0.02Bi0.01)Σ=0.98 Pb3.00Sb5. 00S12.00 for R100213 and Ag 1.00(Mn0.82Sb0.11Ag0.04Bi 0.02)Σ=0.99Pb2.98vSb5.00S 12.00 for R070760. The key structural difference among uchucchacuaite, ramdohrite, and fizélyite lies in the cations occupying the M2 site, which can be expressed with a general structural formula as Ag(M2+2yAg1/2-ySb1/2-y)Pb 3Sb5S12, where M2+ represents divalent cations with 0 ≤ y ≤ 1/2. From the current list of IMA-defined minerals, we consider M = Cd with y = 0.125 for ramdohrite, M = Pb with y = 0.25 for fizélyite, and M = Mn with y = 0.5 for uchucchacuaite. Associated with the variation in the average M2 cation size from fizélyite (1.078 Å) to ramdohrite (0.955 Å) and uchucchacuaite (0.83 Å) is the significant decrease in the average M2-S bond distance from 2.917 to 2.834, and 2.654 Å, respectively, as well as corresponding variations in the unit-cell b dimension from ∼13.23 to 13.06 and 12.73 Å.

KW - Andorite series

KW - Crystal structure

KW - Fizélyite

KW - Ramdohrite

KW - Single-crystal X-ray diffraction

KW - Sulfosalts

KW - Uchucchacuaite

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