data_global
_chemical_name_mineral 'Gottlobite'
loop_
_publ_author_name
'Witzke T'
'Steins M'
'Doering T'
'Kolitsch U'
_journal_name_full 'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_volume 2000 
_journal_year 2000
_journal_page_first 444
_journal_page_last 454
_publ_section_title
;
 Gottlobite, CaMg(VO4,AsO4)(OH), a new mineral from Friedrichroda, Thuringia, Germany
;
_database_code_amcsd 0014906
_chemical_compound_source 'Glucksstern min, Gottlob hill, Friedrichroda, Thuringia, Germany'
_chemical_formula_sum 'Ca Mg (V.75 As.25) (O5 H)'
_cell_length_a 7.510
_cell_length_b 9.004
_cell_length_c 5.948
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 402.204
_exptl_crystal_density_diffrn      3.341
_symmetry_space_group_name_H-M 'P 21 21 21'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,1/2+y,1/2-z'
  '1/2+x,1/2-y,-z'
  '1/2-x,-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ca   0.13020   0.32840   0.52460   1.00000
Mg   0.74100   0.49490   0.75550   1.00000
V   0.88340   0.18037   0.01580   0.75000
As   0.88340   0.18037   0.01580   0.25000
O-H1   0.60590   0.42510   0.49400   1.00000
O2   0.06300   0.06150  -0.00990   1.00000
O3   0.85230   0.27390  -0.23310   1.00000
O4   0.89490   0.29630   0.24220   1.00000
O5   0.71370   0.06380   0.07870   1.00000
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
Ca 0.00940 0.00740 0.01130 0.00040 -0.00180 0.00000
Mg 0.00600 0.00800 0.00320 -0.00080 0.00090 0.00000
V 0.00350 0.00500 0.00470 0.00030 0.00000 -0.00010
As 0.00350 0.00500 0.00470 0.00030 0.00000 -0.00010
O-H1 0.01100 0.01200 0.01300 0.00000 -0.00400 0.00000
O2 0.01200 0.01500 0.00900 0.00100 0.00500 -0.00300
O3 0.01300 0.01000 0.01200 0.00200 0.00100 0.00200
O4 0.01300 0.02200 0.01300 0.00100 -0.00300 0.00000
O5 0.01200 0.01500 0.02300 -0.00300 -0.00100 0.00300