Retgersite
	O'Connor B H, Dale D H
	Acta Crystallographica 21 (1966) 705-709
	A neutron diffraction analysis of the crystal
	structure of tetragonal nickel sulphate hexadeuterate
	Locality: synthetic
	_database_code_amcsd 0009303
	6.790 6.790 18.305 90 90 90 P4_12_12
	atom x y z Biso
	Ni .2101 .2101 0 1.2
	S .7126 .7126 0 1.7
	O4 .6226 .6191 .0648 2.7
	O5 .9248 .6757 -.0003 1.9
	O1 .1714 -.0489 .0518 2.3
	O2 .4720 .2449 .0564 1.4
	O3 .0641 .3564 .0852 1.7
	D11 .0754 -.1409 .0399 2.4
	D12 .2493 -.0862 .0959 2.8
	D21 .5679 .1411 .0493 3.3
	D22 .5423 .3686 .0565 2.2
	D31 -.0115 .4675 .0681 3.0
	D32 -.0178 .2733 .1155 2.3
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	Calcite
	Sitepu H, O'Connor B H, Li D
	Journal of Applied Crystallography 38 (2005) 158-167
	Comparative evaluation of the March and generalized spherical harmonic
	preferred orientation models using X-ray diffraction data for molybdite
	and calcite powders
	Note: March model
	Locality: synthetic
	_database_code_amcsd 0012867
	4.991 4.991 17.068 90 90 120 R-3c
	atom x y z Uiso
	Ca 0 0 0 .01550
	C 0 0 .25 .01771
	O .245 0 .25 .01771
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	Calcite
	Sitepu H, O'Connor B H, Li D
	Journal of Applied Crystallography 38 (2005) 158-167
	Comparative evaluation of the March and generalized spherical harmonic
	preferred orientation models using X-ray diffraction data for molybdite
	and calcite powders
	Note: GSH model
	Locality: synthetic
	_database_code_amcsd 0012868
	4.9920 4.9920 17.069 90 90 120 R-3c
	atom x y z Uiso
	Ca 0 0 0 .01525
	C 0 0 .25 .02084
	O .250 0 .25 .02084
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	Molybdite
	Sitepu H, O'Connor B H, Li D
	Journal of Applied Crystallography 38 (2005) 158-167
	Comparative evaluation of the March and generalized spherical harmonic
	preferred orientation models using X-ray diffraction data for molybdite
	and calcite powders
	Note: GSH model
	Locality: synthetic
	_database_code_amcsd 0012869
	3.9616 13.856 3.6978 90 90 90 Pbnm
	atom x y z Uiso
	Mo .073 .1010 .25 .0279
	O1 .544 .426 .25 .02513
	O2 .615 .0910 .25 .02613
	O3 .053 .223 .25 .01121
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Molybdite
	Sitepu H, O'Connor B H, Li D
	Journal of Applied Crystallography 38 (2005) 158-167
	Comparative evaluation of the March and generalized spherical harmonic
	preferred orientation models using X-ray diffraction data for molybdite
	and calcite powders
	Note: March model
	Locality: synthetic
	_database_code_amcsd 0012870
	3.9621 13.855 3.6986 90 90 90 Pbnm
	atom x y z Uiso
	Mo .075 .1020 .25 .01563
	O1 .526 .426 .25 .01012
	O2 .5660 .086 .25 .01112
	O3 .010 .224 .25 .01495
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure

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Total number of retrieved datasets: 5
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