data_metastudtite
_audit_creation_date              2012-03-31
_audit_creation_method            'Materials Studio'
_symmetry_space_group_name_H-M    'PNMA'
_symmetry_Int_Tables_number       62
_symmetry_cell_setting            orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  x,y,z
  -x+1/2,-y,z+1/2
  -x,y+1/2,-z
  x+1/2,-y+1/2,-z+1/2
  -x,-y,-z
  x+1/2,y,-z+1/2
  x,-y+1/2,z
  -x+1/2,y+1/2,z+1/2
_cell_length_a                    8.4200
_cell_length_b                    8.7800
_cell_length_c                    6.5100
_cell_angle_alpha                 90.0000
_cell_angle_beta                  90.0000
_cell_angle_gamma                 90.0000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
O3     O     0.59934   0.83284   0.38218   0.01267  Uiso   1.00
O4     O     0.15044   0.97430   0.76103   0.01267  Uiso   1.00
H1     H     0.12673   0.58432   0.88898   0.01267  Uiso   1.00
H2     H     0.19014   0.60059   0.65949   0.01267  Uiso   1.00
U1     U     0.15055   0.25000   0.74960   0.01267  Uiso   1.00
O1     O     0.22721   0.25000   0.01601   0.01267  Uiso   1.00
O2     O     0.08006   0.25000   0.48800   0.01267  Uiso   1.00
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
O3     O3      1.455   7_565
O3     U1      2.387   3_656
O3     U1      2.388   2_564
O4     H1      0.999   7_565
O4     H2      0.990   7_565
O4     U1      2.422   1_565
H1     O4      0.999   7_565
H2     O4      0.990   7_565
U1     O3      2.387   5_666
U1     O3      2.387   3_646
U1     O3      2.388   2_565
U1     O3      2.388   8_545
U1     O4      2.422   1_545
U1     O4      2.422   7_565
U1     O1      1.851   1_556
U1     O2      1.803   .    
O1     U1      1.851   1_554
