#------------------------------------------------------------------------------
#$Date: 2009-11-18 16:56:34 +0200 (Wed, 18 Nov 2009) $
#$Revision: 858 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009409.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_9009409
loop_
_publ_author_name
'Witzke T'
'Steins M'
'Doering T'
'Kolitsch U'
_publ_section_title
;
 Gottlobite, CaMg(VO4,AsO4)(OH), a new mineral from Friedrichroda, Thuringia, Germany
 Locality: Glucksstern min, Gottlob hill, Friedrichroda, Thuringia, Germany
;
_journal_name_full               'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_page_first              444
_journal_page_last               454
_journal_volume                  2000
_journal_year                    2000
_chemical_formula_sum            'As0.25 Ca H0.5 Mg O5 V0.75'
_[local]_cod_chemical_formula_sum_orig 'Ca Mg (V.75 As.25) O5 H.5'
_chemical_name_mineral           Gottlobite
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.510
_cell_length_b                   9.004
_cell_length_c                   5.948
_cell_volume                     402.204
loop_
_symmetry_equiv_pos_as_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
OH1 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