COL  ICSD Collection Code 73256
 DATE Recorded Jun 30, 1994; updated Jun 26, 1998
 NAME Copper dioxouranium phosphate hydrate (0.92/2/2/8)
 MINR Metatorbernite - from Vathi, N. Greece
 MINR Meta-autunite group
 FORM Cu0.92 (U O2)2 (P O4)2 (H2 O)8
      = H16 Cu.92 O20 P2 U2
 TITL Refinement of the crystal structure of metatorbernite
 REF  Zeitschrift fuer Kristallographie (149,1979-)
      ZEKRD 205 (1993) 1-7
 AUT  Stergiou A C, Rentzeperis˙P˙J, Sklavounos˙S
 CELL a=6.972(1) b=6.972(1) c=17.277(8) ŕ=90.0 á=90.0 ç=90.0
      V=839.8 D=3.52 Z=2
 SGR  P 4/n Z       (85) - tetragonal
 CLAS 4/m   (Hermann-Mauguin) - C4h (Schoenflies)
 PRS  tP82
 ANX  AB2C2X20
 PARM Atom__No OxStat  Wyck -----X----- -----Y----- -----Z-----  -SOF-
      U      1  6.000    2c  1/4         1/4         0.0526(2)
      U      2  6.000    2c  1/4         1/4         0.5507(3)
      Cu     1  2.174    2c  1/4         1/4         0.3113(7)     0.92
      P      1  5.000    2a  1/4         3/4         0.
      P      2  5.000    2b  1/4         3/4         1/2
      O      1 -2.000    2c  1/4         1/4        -0.0492(6)
      O      2 -2.000    2c  1/4         1/4         0.1537(6)
      O      3 -2.000    2c  1/4         1/4         0.4476(6)
      O      4 -2.000    2c  1/4         1/4         0.6524(6)
      O      5 -2.000    8g  0.2469(46)  0.5755(22)  0.0507(12)
      O      6 -2.000    8g  0.2636(45)  0.5807(20)  0.5533(10)
      OH2    7 -2.000    8g  0.2563(46)  0.5289(39)  0.3124(22)
      OH2    8 -2.000    8g  0.2402(98)  0.5115(39)  0.8056(27)
      H      1  1.000    8g 32 Atoms not located in Unit Cell
 WYCK g4 c7 b a
˙
 TF   Atom   U(1,1)  U(2,2)  U(3,3)  U(1,2)  U(1,3)  U(2,3)
      U  1    0.0241  0.0241  0.0366  0.0000  0.0000  0.0000
                 (9)     (9)    (55)
      U  2    0.0350  0.0350  0.0386  0.0000  0.0000  0.0000
                (15)    (15)    (45)
      Cu 1    0.0385  0.0385  0.0462  0.0000  0.0000  0.0000
                (45)    (45)    (66)
      P  1    0.0461  0.0462  0.0287  0.0000  0.0000  0.0000
                (58)    (58)    (99)
      P  2    0.0410  0.0410  0.0378  0.0000  0.0000  0.0000
                (79)    (79)    (47)
      O  1    0.0148  0.0148  0.0392  0.0000  0.0000  0.0000
                (29)    (29)    (78)
      O  2    0.0310  0.0310  0.0768  0.0000  0.0000  0.0000
                (57)    (57)    (82)
      O  3    0.0507  0.0507  0.0275  0.0000  0.0000  0.0000
                (62)    (62)    (55)
      O  4    0.0545  0.0545  0.0577  0.0000  0.0000  0.0000
                (74)    (74)    (83)
      O  5    0.0608  0.0545  0.0486 -0.0163 -0.0477 -0.0090
                (80)    (54)    (74)    (58)    (51)    (57)
      O  6    0.0693  0.0885  0.0033 -0.0176  0.0228  0.0085
                (79)    (91)    (14)    (89)    (59)    (46)
      O  7    0.0794  0.0747  0.0391  0.0051 -0.0258  0.0351
                (87)    (95)    (62)    (47)    (47)    (53)
      O  8    0.0797  0.0595  0.0315 -0.0290  0.0592 -0.0392
                (88)    (78)    (52)    (94)    (64)    (66)
 REM  M PDF 36-406
 RVAL 0.056
 TEST Calculated density unusual but tolerable. (Code 23)