The crystal structures of jaguéite, Cu₂Pd₃Se₄, and chrisstanleyite, Ag₂Pd₃Se₄

TY - JOUR

T1 - The crystal structures of jaguéite, Cu2Pd3Se4, and chrisstanleyite, Ag2Pd3Se4

AU - Topa, Dan

AU - Makovicky, Emil

AU - Balic Zunic, Tonci

PY - 2006

Y1 - 2006

N2 - The crystal structure of jaguéite, ideally Cu2Pd3Se4, monoclinic, a 5.672(5), b 9.909(9), c 6.264(6) Å, ß 115.40(2)º, space group P21/c, has been solved by direct methods and refi ned to an R1 index of 5.52% for 956 unique refl ections measured with MoK X-radiation on a P-4 Bruker diffractometer equipped with a CCD area-detector. The crystal structure of chrisstanleyite, ideally Ag2Pd3Se4, monoclinic a 5.676(2), b 10.342(4), c 6.341(2) Å, ß 114.996(4)º, space group P21/c, has been solved by direct methods and refi ned to an R1 index of 8.3% for 1203 unique refl ections measured with MoK X-radiation. There are two unique Pd sites, one Cu (or Ag) and two Se sites in the unit cell. Atom Pd1 forms isolated square arrangements PdSe4, whereas the adjacent arrangements involving Pd2 are paired via a common edge. The (Cu,Ag) coordination tetrahedra form (100) layers which, together with the Pd2-Cu(Ag)-Pd1-Cu(Ag)-Pd2 system of metal-metal bonds, help to stabilize the open-work structure composed of PdSe4 squares.

AB - The crystal structure of jaguéite, ideally Cu2Pd3Se4, monoclinic, a 5.672(5), b 9.909(9), c 6.264(6) Å, ß 115.40(2)º, space group P21/c, has been solved by direct methods and refi ned to an R1 index of 5.52% for 956 unique refl ections measured with MoK X-radiation on a P-4 Bruker diffractometer equipped with a CCD area-detector. The crystal structure of chrisstanleyite, ideally Ag2Pd3Se4, monoclinic a 5.676(2), b 10.342(4), c 6.341(2) Å, ß 114.996(4)º, space group P21/c, has been solved by direct methods and refi ned to an R1 index of 8.3% for 1203 unique refl ections measured with MoK X-radiation. There are two unique Pd sites, one Cu (or Ag) and two Se sites in the unit cell. Atom Pd1 forms isolated square arrangements PdSe4, whereas the adjacent arrangements involving Pd2 are paired via a common edge. The (Cu,Ag) coordination tetrahedra form (100) layers which, together with the Pd2-Cu(Ag)-Pd1-Cu(Ag)-Pd2 system of metal-metal bonds, help to stabilize the open-work structure composed of PdSe4 squares.

KW - Faculty of Science

KW - krystal strukturer

KW - jaguéite

KW - crystal structure

KW - chrisstanleyite

M3 - Journal article

SN - 0008-4476

VL - 44

SP - 497

EP - 505

JO - Canadian Mineralogist

JF - Canadian Mineralogist

ER -