data_global
_chemical_name_mineral 'Skorpionite'
loop_
_publ_author_name
'Krause W'
'Effenberger H'
'Bernhardt H-J'
'Medenbach O'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 20 
_journal_year 2008
_journal_page_first 271
_journal_page_last 280
_publ_section_title
;
 Skorpionite, Ca3Zn2(PO4)2CO3(OH)2*H2O, a new mineral from Namibia: description
 and crystal structure
;
_database_code_amcsd 0007259
_chemical_compound_source 'near Rosh Pinah mine, Luderitz district, Karas region, Namibia, Africa'
_chemical_formula_sum 'Zn2 Ca3 P2 C O14 H4'
_cell_length_a 19.045
_cell_length_b 9.320
_cell_length_c 6.525
_cell_angle_alpha 90
_cell_angle_beta 92.73
_cell_angle_gamma 90
_cell_volume 1156.869
_exptl_crystal_density_diffrn      3.175
_symmetry_space_group_name_H-M 'C 1 2/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Zn   0.17069   0.04391   0.41120   1.00000   0.01552
Ca1   0.00000   0.59791   0.25000   1.00000   0.01225
Ca2   0.16419   0.33537   0.12171   1.00000   0.01213
P   0.17804   0.66662   0.15062   1.00000   0.01057
C   0.00000   0.28180   0.25000   1.00000   0.01360
O1p   0.21612   0.76680   0.30300   1.00000   0.01600
O2p   0.22778   0.55013   0.06900   1.00000   0.01540
O3p   0.12142   0.58406   0.26290   1.00000   0.01480
O4p   0.14517   0.74825  -0.03520   1.00000   0.01500
O1c   0.00000   0.14635   0.25000   1.00000   0.02380
O2c   0.02937   0.35493   0.10680   1.00000   0.01570
O-h   0.13476   0.07351   0.12470   1.00000   0.01310
Ow1   0.00000   0.85000   0.20100   0.25000   0.03300
Ow2   0.01100   0.84800   0.21600   0.25000   0.03000
Hh   0.09280   0.08200   0.13400   1.00000   0.00200
Hw1   0.00000   0.92400   0.25000   1.00000   0.01800
Hw2   0.00200   0.85100   0.06600   0.50000   0.01800
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Zn 0.01380 0.01906 0.01365 -0.00242 0.00023 0.00474
Ca1 0.01049 0.01400 0.01221 0.00000 0.00018 0.00000
Ca2 0.01232 0.01235 0.01180 0.00026 0.00120 0.00159
P 0.01002 0.01247 0.00924 -0.00065 0.00058 0.00006
C 0.01340 0.01370 0.01380 0.00000 0.00310 0.00000
O1p 0.01480 0.02120 0.01180 -0.00460 -0.00050 -0.00240
O2p 0.01250 0.01450 0.01950 0.00060 0.00280 -0.00100
O3p 0.01110 0.01880 0.01460 -0.00180 0.00200 0.00230
O4p 0.01750 0.01590 0.01150 -0.00020 -0.00190 0.00180
O1c 0.02090 0.01240 0.03900 0.00000 0.01090 0.00000
O2c 0.01610 0.01840 0.01280 -0.00230 0.00250 0.00170
O-h 0.01220 0.01520 0.01190 0.00130 0.00110 -0.00160
Ow1 0.06300 0.00800 0.02800 0.00500 -0.01100 -0.00800
Ow2 0.04600 0.02700 0.01600 0.00100 0.00900 0.00100