data_global
_chemical_name_mineral 'Sclarite'
loop_
_publ_author_name
'Grice J D'
'Dunn P J'
_journal_name_full 'American Mineralogist'
_journal_volume 74 
_journal_year 1989
_journal_page_first 1355
_journal_page_last 1359
_publ_section_title
;
 Sclarite, a new mineral from Franklin, New Jersey, with essential octahedrally
 and tetrahedrally coordinated zinc: Description and structure refinement
;
_chemical_formula_sum 'Zn7 C2 O16 H10'
_cell_length_a 16.110
_cell_length_b 5.432
_cell_length_c 15.041
_cell_angle_alpha 90
_cell_angle_beta 95.490
_cell_angle_gamma 90
_cell_volume 1310.193
_exptl_crystal_density_diffrn      3.791
_symmetry_space_group_name_H-M 'A 1 2/a 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,1/2+y,1/2+z'
  '1/2+x,-y,z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,y,-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
  '-x,1/2-y,1/2-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Zn1   0.40970   0.25460   0.27960 ?
Zn2   0.18510   0.26970   0.19800 ?
Zn3   0.03860   0.24600   0.36150 ?
Zn4   0.25000   0.28550   0.00000 ?
C   0.37570   0.41850   0.47700 ?
O1   0.07400   0.24910   0.49330 ?
O2   0.47590   0.09450   0.17520 ?
O3   0.11970   0.08120   0.29010 ?
O4   0.06750   0.43410   0.14450 ?
O5   0.24420   0.47020   0.10640 ?
O6   0.34570   0.07040   0.03140 ?
O7   0.35180   0.43060   0.39240 ?
O8   0.29900   0.08480   0.22380 ?
H26   0.44000   0.16000   0.12600   0.04000
H35   0.16400   0.06000   0.34200   0.04000
H41   0.07000   0.47200   0.07800   0.04000
H57   0.28500   0.11200   0.41000   0.04000
H86   0.31300   0.04800   0.16200   0.04000
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
Zn1 0.01910 0.00790 0.01180 -0.00020 0.00550 0.00060
Zn2 0.01850 0.00860 0.00940 0.00020 0.00680 0.00110
Zn3 0.01810 0.00820 0.00660 -0.00050 0.00530 0.00000
Zn4 0.02350 0.01490 0.00590 0.00000 0.00550 0.00000
C 0.01500 0.01300 0.00700 -0.00300 0.00600 -0.00300
O1 0.03100 0.01400 0.00500 -0.00800 0.00300 0.00100
O2 0.02300 0.00700 0.00900 0.00000 0.00500 0.00000
O3 0.01800 0.01000 0.00400 -0.00100 0.00500 -0.00200
O4 0.02100 0.00900 0.00400 -0.00300 0.00300 -0.00200
O5 0.02200 0.01300 0.00400 0.00000 0.00700 0.00200
O6 0.03300 0.02600 0.01000 0.01300 0.00500 -0.00500
O7 0.02100 0.01400 0.00500 0.00000 0.00300 0.00100
O8 0.01700 0.00900 0.00700 -0.00100 0.00500 0.00200